SCHEMBL3597533

SCHEMBL3597533

CC(C)(C)c1ccc2cc(C(=O)O)[nH]c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF4A3 P38919 2/20 0.58
HSD17B10 Q99714 4/20 0.54
KDM4E B2RXH2 3/20 0.54
HPGD P15428 3/20 0.54
MAPT P10636 1/20 0.54
DAO P14920 1/20 0.54
SRD5A2 P31213 1/20 0.54
PIN1 Q13526 1/20 0.50
GPR35 Q9HC97 1/20 0.50
KIF11 P52732 1/20 0.49
SMAD3 P84022 1/20 0.47
MGLL Q99685 1/20 0.47
MMP9 P14780 1/20 0.46
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
F7 P08709 1/20 0.46
F3 P13726 1/20 0.46
PDPK1 O15530 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46

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
SCHEMBL29784199 1.00 EIF4A3 (0.58) EIF4A3HSD17B10KDM4EHPGDMAPT
SCHEMBL30071418 0.88 EIF4A3 (0.52) EIF4A3HSD17B10KDM4EHPGDMAPT
SCHEMBL20495000 0.88 EIF4A3 (0.52) EIF4A3HSD17B10KDM4EHPGDMAPT
SCHEMBL3635965 0.87 PIN1 (0.63) EIF4A3HSD17B10KDM4EHPGDMAPT
SCHEMBL29709913 0.87 PIN1 (0.63) EIF4A3HSD17B10KDM4EHPGDMAPT
SCHEMBL15756140 0.87 MMP9 (0.46) EIF4A3KIF11MGLLMMP9SCN10A
SCHEMBL13552126 0.85 SCN10A (0.48) EIF4A3KIF11MGLLMMP9SCN10A
SCHEMBL3643672 0.83 HPGD (0.54) EIF4A3HSD17B10KDM4EHPGDMAPT
SCHEMBL19433394 0.83 EIF4A3 (0.51) EIF4A3HSD17B10KDM4EHPGDMAPT
Hydrochloric Acid SCHEMBL19433400 0.82 EIF4A3 (0.50) EIF4A3HSD17B10KDM4EHPGDMAPT

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2167077-A2 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR Bayer Schering Pharma Aktiengesellschaft (DE) 2010-03-31 EP claimed
US-20090023741-A1 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AG (DE) 2009-01-22 US claimed
WO-2008152099-A2 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-18 WO claimed
US-11390610-B2 Piperazine derivatives as MAGL inhibitors HOFFMANN-LA ROCHE INC. (US) 2022-07-19 US disclosed
EP-3694840-B1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS HOFFMANN LA ROCHE (CH) 2021-08-04 EP disclosed
US-20200299277-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2020-09-24 US disclosed
US-10744180-B2 Therapy and kit for the prevention and treatment of cystic fibrosis TRUSTEES OF DARTMOUTH COLLEGE (US) 2020-08-18 US disclosed
US-20180318382-A1 THERAPY AND KIT FOR THE PREVENTION AND TREATMENT OF CYSTIC FIBROSIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-11-08 US disclosed
US-8741923-B2 Oxadiazole fused heterocyclic derivatives useful for the treatment of multiple sclerosis MERCK SERONO SA (CH) 2014-06-03 US disclosed
US-8741923-B2 Oxadiazole fused heterocyclic derivatives useful for the treatment of multiple sclerosis MERCK SERONO SA (CH) 2014-06-03 US disclosed
US-20110230518-A1 OXADIAZOLE FUSED HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF MULTIPLE SCLEROSIS MERCK SERONO S.A. (CH) 2011-09-22 US disclosed
EP-2167077-A2 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR Bayer Schering Pharma Aktiengesellschaft (DE) 2010-03-31 EP disclosed
US-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-02-11 US disclosed
WO-2009158375-A1 AZA-CYLIC INDOLE- 2 -CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-12-30 WO disclosed
US-20090023741-A1 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AG (DE) 2009-01-22 US disclosed
WO-2008152099-A2 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-18 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 (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-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF IDO2, IDO1, INMT EIF4A3 2625/4885HSD17B10 2072/4885KDM4E 963/4885
US-11390610-B2 Piperazine derivatives as MAGL inhibitors MAGI3, PYM1, MAG EIF4A3 1064/4885HSD17B10 4616/4885KDM4E 2009/4885
US-20090023741-A1 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR PTGER2, PTGER1, PTGDR2 EIF4A3 3270/4885HSD17B10 297/4885KDM4E 3048/4885
US-10744180-B2 Therapy and kit for the prevention and treatment of cystic fibrosis CFTR, CLCN2, PROKR1 EIF4A3 3843/4885HSD17B10 4747/4885KDM4E 4748/4885
US-20200299277-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS MAGI3, PYM1, MAG EIF4A3 1064/4885HSD17B10 4616/4885KDM4E 2009/4885
US-20110230518-A1 OXADIAZOLE FUSED HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF MULTIPLE SCLEROSIS PMP22, AQP4, NDUFS3 EIF4A3 1912/4885HSD17B10 743/4885KDM4E 1923/4885
US-20180318382-A1 THERAPY AND KIT FOR THE PREVENTION AND TREATMENT OF CYSTIC FIBROSIS CFTR, CLCN2, PROKR1 EIF4A3 3843/4885HSD17B10 4747/4885KDM4E 4748/4885

“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.