SCHEMBL472227

SCHEMBL472227

C[C@@H]1CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OP(=O)([O-])[O-])C(=O)CO.[Na+].[Na+]

nearest known ligand 0.75

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 13/20 0.75
▸ MMP1 P03956 10/20 0.75
▸ CYP3A4 P08684 6/20 0.74
▸ PGR P06401 5/20 0.74
▸ MEN1 O00255 2/20 0.74
▸ KMT2A Q03164 2/20 0.74
▸ USP2 O75604 1/20 0.74
▸ HIF1A Q16665 2/20 0.72
▸ HSD17B10 Q99714 2/20 0.72
▸ TSHR P16473 2/20 0.72
▸ NFKB1 P19838 2/20 0.72
▸ AR P10275 2/20 0.72
▸ CYP2D6 P10635 1/20 0.72
▸ APEX1 P27695 1/20 0.72
▸ PMP22 Q01453 1/20 0.72
▸ NPSR1 Q6W5P4 1/20 0.72
▸ IKBKB O14920 1/20 0.72
▸ CHUK O15111 1/20 0.72
▸ ADRB2 P07550 1/20 0.72
▸ NR3C2 P08235 1/20 0.72

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
SCHEMBL337332 1.00 NR3C1 (0.75) NR3C1MMP1CYP3A4PGRMEN1
SCHEMBL1048586 1.00 NR3C1 (0.75) NR3C1MMP1CYP3A4PGRMEN1
SCHEMBL15568326 0.95 NR3C1 (0.73) NR3C1MMP1CYP3A4PGRMEN1
SCHEMBL2898449 0.93 NR3C1 (0.76) NR3C1MMP1CYP3A4PGRMEN1
SCHEMBL15671680 0.93 NR3C1 (0.76) NR3C1MMP1CYP3A4PGRMEN1
SCHEMBL73249 0.93 NR3C1 (0.76) NR3C1MMP1CYP3A4PGRMEN1
Water SCHEMBL201856 0.92 NR3C1 (0.75) NR3C1MMP1CYP3A4PGRMEN1
SCHEMBL2123848 0.92 NR3C1 (0.75) NR3C1MMP1CYP3A4PGRMEN1
SCHEMBL3836633 0.92 NR3C1 (0.75) NR3C1MMP1CYP3A4PGRMEN1
SCHEMBL3126388 0.92 NR3C1 (0.75) NR3C1MMP1CYP3A4PGRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250144067-A1 PERSONALIZED STARVATION THERAPY FOR CANCER FAETH THERAPEUTICS, INC. 2025-05-08 — — US disclosed
WO-2025091017-A1 SYNTHETIC WHOLE BLOOD SUBSTITUTES OHIO STATE INNOVATION FOUNDATION (US) 2025-05-01 — — WO disclosed
US-12011450-B2 Polyethylene glycol-conjugated glucocorticoid prodrugs and compositions and methods thereof BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2024-06-18 — — US disclosed
US-20240165130-A1 COMPOSITE DRUG PARTICLES AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2024-05-23 — — US disclosed
CN-117956981-A Controlled release dosage form for medicine in tympanic cavity containing N-acylated glycol chitosan 中南大学的产学研合作 2024-04-30 — — CN disclosed
EP-4312991-A1 COMPOSITE DRUG PARTICLES AND USES THEREOF The Regents Of The University Of Michigan (US) 2024-02-07 — — EP disclosed
US-20240000800-A1 Polyethylene Glycol-Conjugated Glucocorticoid Prodrugs and Compositions and Methods Thereof BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2024-01-04 — — US disclosed
WO-2023224213-A1 DRUG DELIVERY SYSTEM, PHARMACEUTICAL COMPOSITION FOR TREATING EAR DISEASES INCLUDING SAME, AND CONTROLLED DRUG RELEASE FORMULATION 충남대학교산학협력단 2023-11-23 — — WO disclosed
EP-3696185-A9 POLYETHYLENE GLYCOL-CONJUGATED GLUCOCORTICOID PRODRUGS AND COMPOSITIONS AND METHODS THEREOF Board of Regents of the University of Nebraska (US) 2023-05-03 — — EP disclosed
WO-2023054951-A1 INTRATYMPANIC DRUG CONTROLLED RELEASE-TYPE FORMULATION COMPRISING N-ACYLATED GLYCOL CHITOSAN 충남대학교산학협력단 2023-04-06 — — WO disclosed
US-6476021-B1 Compounds having cGMP-PDE inhibitory effect MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-11-05 — — US disclosed
WO-2002007683-A1 ANTIMICOTIC NAIL VARNISH COMPOSITION POLICHEM S.A. (LU) 2002-01-31 — — WO disclosed
CN-1310613-A Rapidly disintegrable solid preparation TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-08-29 — — CN disclosed
US-6274118-B1 INJECTING PATIENT HAVING ENDOCRINE CANCER IN NON-PROSTATIC TISSUE WITH BIOLOGICAL BINDING UNITS WHICH BIND TO PROSTATE SPECIFIC ANTIGEN PRODUCED BY NON-PROSTATIC TISSUE NORDION INTERNATIONAL INC. (CA) 2001-08-14 — — US disclosed
CN-1282263-A Anhydrous drug reservoir for electrolytic transdermal delivery device ALZA CORP (US) 2001-01-31 — — CN disclosed
EP-1048666-A1 NOVEL COMPOUNDS HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 — — EP disclosed
CN-1265585-A (imidazol-5-yl) methyl-2-quinolinone derivatives as smooth muscle cell proliferation inhibitors JANSSEN PHARMACEUTICA NV (NL) 2000-09-06 — — CN disclosed
CN-1237901-A Protein-stabilized pharmacologically active agents and methods for their preparation and use VIVORX PHARMACEUTICALS INC (US) 1999-12-08 — — CN disclosed
CN-1215986-A Method for preparing gas-filled liposomes IMARX PHARMACEUTICAL CORP (US) 1999-05-05 — — CN disclosed
WO-1995002424-A1 LOCALIZATION AND THERAPY OF NON-PROSTATIC ENDOCRINE CANCER WITH AGENTS DIRECTED AGAINST PROSTATE SPECIFIC ANTIGEN NORDION INTERNATIONAL INC. (CA) 1995-01-26 — — WO disclosed

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

For each of this compound's patents that has machine-readable text (3 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-20240165130-A1 COMPOSITE DRUG PARTICLES AND USES THEREOF LIPC, LIPA, FABP4 NR3C1 108/4885MMP1 1358/4885CYP3A4 193/4885
US-12011450-B2 Polyethylene glycol-conjugated glucocorticoid prodrugs and compositions and methods thereof NR3C1, SSB, SERPINA6 NR3C1 1/4885MMP1 1755/4885CYP3A4 1703/4885
US-20240000800-A1 Polyethylene Glycol-Conjugated Glucocorticoid Prodrugs and Compositions and Methods Thereof NR3C1, SSB, SERPINA6 NR3C1 1/4885MMP1 1755/4885CYP3A4 1703/4885

“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.

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