SCHEMBL3643479

SCHEMBL3643479

CC(C)c1ccc2[nH]c(C(=O)O)cc2c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF4A3 P38919 6/20 0.77
PIN1 Q13526 1/20 0.63
SMAD3 P84022 1/20 0.60
KDM4E B2RXH2 4/20 0.58
HPGD P15428 3/20 0.58
HSD17B10 Q99714 3/20 0.58
ALDH1A1 P00352 2/20 0.58
F7 P08709 1/20 0.58
F3 P13726 1/20 0.58
PDPK1 O15530 1/20 0.58
LMNA P02545 1/20 0.58
TSHR P16473 1/20 0.58
NFKB1 P19838 1/20 0.58
APEX1 P27695 1/20 0.58
CYP2C19 P33261 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
SRD5A2 P31213 2/20 0.54
MAPT P10636 1/20 0.54
DAO P14920 1/20 0.54
KMT2A Q03164 1/20 0.51

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
SCHEMBL30547869 1.00 EIF4A3 (0.77) EIF4A3PIN1SMAD3KDM4EHPGD
SCHEMBL1144973 0.87 EIF4A3 (1.00) EIF4A3PIN1SMAD3KDM4EHPGD
SCHEMBL13284884 0.87 KDM4E (0.63) EIF4A3PIN1SMAD3KDM4EHPGD
SCHEMBL12387277 0.87 EIF4A3 (0.58) EIF4A3PIN1SMAD3KDM4EHPGD
SCHEMBL12363915 0.85 EIF4A3 (0.56) EIF4A3PIN1SMAD3KDM4EHPGD
SCHEMBL24832782 0.84 PIN1 (0.56) EIF4A3PIN1SMAD3KDM4EHPGD
SCHEMBL27601242 0.83 PIN1 (0.55) EIF4A3PIN1SMAD3KDM4EHPGD
SCHEMBL28264500 0.81 EIF4A3 (0.52) EIF4A3PIN1SMAD3KDM4EHPGD
SCHEMBL20381090 0.80 TP53 (0.70) LMNA
SCHEMBL15642461 0.80 PIN1 (0.51) EIF4A3PIN1SMAD3KDM4EHPGD

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 15 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
CN-101318924-A 5-alkyl substitution indole derivant and preparation method thereof UNIV SHANXI (CN) 2008-12-10 CN claimed
US-20050054696-A1 Indole compounds and medicinal use thereof JAPAN TOBACCO INC. (JP) 2005-03-10 US claimed
EP-1452526-A1 INDOLE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-09-01 EP claimed
EP-2167077-A2 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR Bayer Schering Pharma Aktiengesellschaft (DE) 2010-03-31 EP 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
CN-101318924-A 5-alkyl substitution indole derivant and preparation method thereof UNIV SHANXI (CN) 2008-12-10 CN disclosed
US-20050054696-A1 Indole compounds and medicinal use thereof JAPAN TOBACCO INC. (JP) 2005-03-10 US disclosed
US-20050043304-A1 Novel amine derivative having human beta-tryptase inhibitory activity and drugs containing the same MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2005-02-24 US disclosed
WO-2004108671-A1 SUBSTITUTED INDOLES WITH SEROTONIN RECEPTOR AFFINITY, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SUVEN LIFE SCIENCES LIMITED (IN) 2004-12-16 WO disclosed
EP-1452526-A1 INDOLE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-09-01 EP disclosed
EP-1445250-A1 NOVEL AMINE DERIVATIVE HAVING HUMAN BETA-TRYPTASE INHIBITORY ACTIVITY AND DRUGS CONTAINING THE SAME MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2004-08-11 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 (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-20050054696-A1 Indole compounds and medicinal use thereof IDO1, GPR119, SLC5A1 EIF4A3 3407/4885PIN1 1842/4885SMAD3 2147/4885
US-20090023741-A1 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR PTGER2, PTGER1, PTGDR2 EIF4A3 3270/4885PIN1 2950/4885SMAD3 4209/4885
US-20050043304-A1 Novel amine derivative having human beta-tryptase inhibitory activity and drugs containing the same TPSAB1, TPSB2, TPSD1 EIF4A3 4819/4885PIN1 3079/4885SMAD3 373/4885

“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.