SCHEMBL4105697

SCHEMBL4105697

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

nearest known ligand 0.85

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 2/20 0.77
FNTA P49354 5/20 0.85
FNTB P49356 5/20 0.85
TSHR P16473 3/20 0.77
KMT2A Q03164 2/20 0.77
AR P10275 2/20 0.77
BLM P54132 2/20 0.77
MEN1 O00255 1/20 0.77
HIF1A Q16665 7/20 0.73
PMP22 Q01453 3/20 0.73
NFKB1 P19838 1/20 0.73
HSD17B10 Q99714 4/20 0.69
SMN1; SMN2 Q16637 4/20 0.69
LMNA P02545 4/20 0.69
SERPINA6 P08185 4/20 0.69
CYP3A4 P08684 3/20 0.69
SHBG P04278 2/20 0.69
CYP2D6 P10635 1/20 0.69
ALDH1A1 P00352 1/20 0.69
KCNA1 Q09470 1/20 0.69

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
SCHEMBL3403149 0.91 FNTA (0.86) FNTAFNTBTSHRNR3C1KMT2A
Cortisone SCHEMBL4105700 0.89 HSD17B10 (0.88) FNTAFNTBTSHRNR3C1KMT2A
SCHEMBL31249833 0.89 FNTA (0.82) FNTAFNTBTSHRNR3C1KMT2A
SCHEMBL31249685 0.88 FNTA (0.81) FNTAFNTBTSHRNR3C1KMT2A
Hydrochloric Acid SCHEMBL31249712 0.88 FNTA (0.81) FNTAFNTBTSHRNR3C1KMT2A
SCHEMBL2963066 0.88 FNTA (0.81) FNTAFNTBTSHRNR3C1KMT2A
SCHEMBL21795267 0.87 FNTA (0.82) FNTAFNTBTSHRNR3C1KMT2A
Cortisone Acetate SCHEMBL9819556 0.87 FNTA (1.00) FNTAFNTBTSHRNR3C1KMT2A
Cortisone Acetate SCHEMBL9819561 0.87 FNTA (1.00) FNTAFNTBTSHRNR3C1KMT2A
Cortisone Acetate SCHEMBL4501 0.87 FNTA (1.00) FNTAFNTBTSHRNR3C1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023183932-A2 MONOBODIES BINDING TO INTERCELLULAR ADHESION MOLECULE 2 (ICAM-2) NEW YORK UNIVERSITY (US) 2023-09-28 WO claimed
CN-106924738-B The pharmaceutical composition for preventing lemostenosis 北京大学第三医院 2019-12-03 CN claimed
CN-110123830-A Composition and method for inhibiting the lipid of the expression of Eg5 and VEGF gene to prepare 阿尔尼拉姆医药品有限公司 2019-08-16 CN claimed
WO-2023183932-A2 MONOBODIES BINDING TO INTERCELLULAR ADHESION MOLECULE 2 (ICAM-2) NEW YORK UNIVERSITY (US) 2023-09-28 WO disclosed
US-20220054417-A1 DELIVERY OF AGENTS TO INFLAMED TISSUES USING FOLATE-TARGETED LIPOSOMES PURDUE RESEARCH FOUNDATION (US) 2022-02-24 US disclosed
US-11185505-B2 Delivery of agents to inflamed tissues using folate-targeted liposomes PURDUE RESEARCH FOUNDATION (US) 2021-11-30 US disclosed
CN-112225772-A Synthesis process of hydrocortisone hemisuccinate 安徽海洋药业有限公司 2021-01-15 CN disclosed
US-20200297632-A1 DELIVERY OF AGENTS TO INFLAMED TISSUES USING FOLATE-TARGETED LIPOSOMES PURDUE RESEARCH FOUNDATION (US) 2020-09-24 US disclosed
US-20190298843-A1 LIGAND IONOPHORE CONJUGATES PURDUE RESEARCH FOUNDATION (US) 2019-10-03 US disclosed
US-10406238-B2 Ligand ionophore conjugates PURDUE RESEARCH FOUNDATION (US) 2019-09-10 US disclosed
CN-110178795-A A kind of modeling method of macaque cold of insufficiency type syndrome model 成都中医药大学 2019-08-30 CN disclosed
WO-2011150392-A1 DELIVERY OF THERAPEUTIC AGENTS TO INFLAMED TISSUES USING FOLATE-TARGETED AGENTS PURDUE RESEARCH FOUNDATION (US) 2011-12-01 WO disclosed
US-20090226509-A1 Composition for treatment of inflammatory disorders ENCELADUS PHARMACEUTICALS B.V. (NL) 2009-09-10 US disclosed
EP-1517675-B1 COMPOSITION FOR TREATMENT OF INFLAMMATORY DISORDERS ENCELADUS PHARMACEUTICALS B V (NL) 2008-09-03 EP disclosed
US-20050152962-A1 Liposomes composed of non-charged vesicle-forming lipids and water soluble corticosteroid for site-specific treatment of inflammatory disorders; for parenteral administration ENCELADUS PHARMACEUTICALS B.V. (NL) 2005-07-14 US disclosed
EP-1545994-A1 INJECTABLE PHARMACEUTICAL SUSPENSION IN A TWO-CHAMBER VIAL Pharmacia Corporation (US) 2005-06-29 EP disclosed
EP-1517675-A1 COMPOSITION FOR TREATMENT OF INFLAMMATORY DISORDERS Universiteit Utrecht Holding B.V. (NL) 2005-03-30 EP disclosed
WO-2004018312-A1 INJECTABLE PHARMACEUTICAL SUSPENSION IN A TWO-CHAMBER VIAL PHARMACIA CORPORATION (US) 2004-03-04 WO disclosed
WO-2003105805-A1 COMPOSITION FOR TREATMENT OF INFLAMMATORY DISORDERS UNIVERSITEIT UTRECHT HOLDING B.V. (NL) 2003-12-24 WO disclosed
EP-1371362-A1 Composition for treatment of inflammatory disorders Universiteit Utrecht Holding B.V. (NL) 2003-12-17 EP 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 (5 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-20200297632-A1 DELIVERY OF AGENTS TO INFLAMED TISSUES USING FOLATE-TARGETED LIPOSOMES FOLR1, FOLR2, ENPP2 NR3C1 2000/4885FNTA 492/4885FNTB 1172/4885
US-20220054417-A1 DELIVERY OF AGENTS TO INFLAMED TISSUES USING FOLATE-TARGETED LIPOSOMES FOLR1, FOLR2, ENPP2 NR3C1 2000/4885FNTA 492/4885FNTB 1172/4885
US-10406238-B2 Ligand ionophore conjugates EEA1, SLC7A1, LAMP2 NR3C1 3181/4885FNTA 3051/4885FNTB 3266/4885
US-20190298843-A1 LIGAND IONOPHORE CONJUGATES EEA1, SLC7A1, LAMP2 NR3C1 3181/4885FNTA 3051/4885FNTB 3266/4885
US-11185505-B2 Delivery of agents to inflamed tissues using folate-targeted liposomes FOLR1, FOLR2, ENPP2 NR3C1 2000/4885FNTA 492/4885FNTB 1172/4885

“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.