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SCHEMBL146929

SCHEMBL146929

C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](OC(=O)CCC(=O)[O-])C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO.[Na+]

nearest known ligand 0.70

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 known ✓ P04150 4/20 0.67
▸ HIF1A Q16665 12/20 0.70
▸ PMP22 Q01453 3/20 0.70
▸ TSHR P16473 3/20 0.70
▸ NFKB1 P19838 2/20 0.70
▸ HSD17B10 Q99714 7/20 0.67
▸ SMN1; SMN2 Q16637 5/20 0.67
▸ SERPINA6 P08185 4/20 0.67
▸ CYP3A4 P08684 4/20 0.67
▸ CYP2C19 P33261 3/20 0.67
▸ SHBG P04278 3/20 0.67
▸ PGR P06401 3/20 0.67
▸ NR3C2 P08235 3/20 0.67
▸ MAPT P10636 2/20 0.67
▸ KMT2A Q03164 2/20 0.67
▸ LMNA P02545 4/20 0.60
▸ BLM P54132 1/20 0.60
▸ CYP2D6 P10635 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ KCNA1 Q09470 1/20 0.56

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL141827 0.91 HIF1A (0.70) HIF1APMP22TSHRNFKB1HSD17B10
SCHEMBL141359 0.90 HIF1A (0.69) HIF1APMP22TSHRNFKB1HSD17B10
SCHEMBL141850 0.88 HIF1A (0.70) HIF1APMP22TSHRNFKB1HSD17B10
SCHEMBL142560 0.88 HIF1A (0.66) HIF1APMP22TSHRNFKB1HSD17B10
SCHEMBL3488308 0.88 HIF1A (0.70) HIF1APMP22TSHRNFKB1HSD17B10
SCHEMBL28637413 0.88 HIF1A (0.70) HIF1APMP22TSHRNFKB1HSD17B10
Hydrocortisone SCHEMBL5578673 0.88 HIF1A (0.88) HIF1APMP22TSHRNFKB1HSD17B10
Hydrocortisone SCHEMBL3105433 0.88 HIF1A (0.88) HIF1APMP22TSHRNFKB1HSD17B10
Hydrocortisone SCHEMBL41084 0.88 HIF1A (0.88) HIF1APMP22TSHRNFKB1HSD17B10
Hydrocortisone SCHEMBL364232 0.88 HIF1A (0.88) HIF1APMP22TSHRNFKB1HSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 282 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192717-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE ACTIVITY CASE WESTERN RESERVE UNIVERSITY 2023-06-22 — — US claimed
EP-4153299-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE ACTIVITY Rodeo Therapeutics Corporation (US) 2023-03-29 — — EP claimed
US-20230039604-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE ACTIVITY RODEO THERAPEUTICS CORPORATION 2023-02-09 — — US claimed
WO-2021236779-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE ACTIVITY RODEO THERAPEUTICS CORPORATION (US) 2021-11-25 — — WO claimed
EP-3883577-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE ACTIVITY CASE WESTERN RESERVE UNIVERSITY (US) 2021-09-29 — — EP claimed
EP-3630773-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE ACTIVITY Case Western Reserve University (US) 2020-04-08 — — EP claimed
US-20200061073-A1 COMBINATIONS OF 15-PGDH INHIBITORS WITH CORCOSTEROIDS AND/OR TNF INHIBITORS AND USES THEREOF CASE WESTERN RESERVE UNIVERSITY 2020-02-27 — — US claimed
EP-3548035-A1 COMBINATIONS OF 15-PGDH INHIBITORS WITH CORCOSTEROIDS AND/OR TNF INHIBITORS AND USES THEREOF Case Western Reserve University (US) 2019-10-09 — — EP claimed
WO-2018218251-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE ACTIVITY CASE WESTERN RESERVE UNIVERSITY (US) 2018-11-29 — — WO claimed
WO-2018102552-A1 COMBINATIONS OF 15-PGDH INHIBITORS WITH CORCOSTEROIDS AND/OR TNF INHIBITORS AND USES THEREOF CASE WESTERN RESERVE UNIVERSITY (US) 2018-06-07 — — WO claimed
US-20120028910-A1 STORAGE-STABLE AQUEOUS OPHTHALMIC FORMULATIONS FOVEA PHARMACEUTICALS (FR) 2012-02-02 — — US claimed
US-8080553-B2 Methods and reagents for the treatment of immunoinflammatory disorders ZALICUS INC. (US) 2011-12-20 — — US claimed
EP-2301628-A1 Methods and reagents for the treatment of immunoinflammatory disorders Zalicus Inc. (US) 2011-03-30 — — EP claimed
EP-2070550-A1 Use of combinations comprising a corticosteroid and a pyrimidopyrimidine in the treatment of inflammatory diseases Combinatorx, Incorporated (US) 2009-06-17 — — EP claimed
US-20070010502-A1 Methods and reagents for the treatment of immunoinflammatory disorders COMBINATORX INC. (US) 2007-01-11 — — US claimed
US-6830758-B2 Patch containing drug; flexible backing; pressure sensitive adhesive LECTEC CORPORATION 2004-12-14 — — US claimed
US-20030176421-A1 PROKINETIC AGENTS FOR TREATING GASTRIC HYPOMOTILITY AND RELATED DISORDERS WATSON JOHN W (US) 2003-09-18 — — US claimed
US-20030077316-A1 Psoriasis patch AXOGEN CORPORATION 2003-04-24 — — US claimed
US-20020192273-A1 Therapeutic patch useful for the treatment of hemorrhoids LEC TEC CORPORATION 2002-12-19 — — US claimed
WO-2001041746-A1 ANTI ITCH PATCH LECTEC CORPORATION (US) 2001-06-14 — — WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200061073-A1 COMBINATIONS OF 15-PGDH INHIBITORS WITH CORCOSTEROIDS AND/OR TNF INHIBITORS AND USES THEREOF HPGD, HPGDS, PTGIS NR3C1 259/4885HIF1A 3228/4885PMP22 1531/4885
US-20070010502-A1 Methods and reagents for the treatment of immunoinflammatory disorders IL5, TPMT, TSLP NR3C1 413/4885HIF1A 1602/4885PMP22 377/4885
US-20020192273-A1 Therapeutic patch useful for the treatment of hemorrhoids PTGIR, PLOD3, PTGIS NR3C1 2462/4885HIF1A 674/4885PMP22 955/4885
US-20230039604-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE ACTIVITY HPGD, GCDH, HPGDS NR3C1 1540/4885HIF1A 874/4885PMP22 843/4885
US-20230192717-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE ACTIVITY HPGD, GCDH, HPGDS NR3C1 1540/4885HIF1A 874/4885PMP22 843/4885
US-20030176421-A1 PROKINETIC AGENTS FOR TREATING GASTRIC HYPOMOTILITY AND RELATED DISORDERS OPRM1, OPRK1, OPRD1 NR3C1 1319/4885HIF1A 404/4885PMP22 315/4885
US-20030077316-A1 Psoriasis patch PEF1, ITCH, DSG1 NR3C1 1592/4885HIF1A 1316/4885PMP22 3904/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.