SCHEMBL335319

SCHEMBL335319

COc1ccc2oc(C(=O)O)cc2c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.66
ALDH1A1 P00352 3/20 0.66
CA2 P00918 2/20 0.66
PIM1 P11309 2/20 0.66
CA12 O43570 1/20 0.66
CA1 P00915 1/20 0.66
CA3 P07451 1/20 0.66
HPGD P15428 1/20 0.66
CA6 P23280 1/20 0.66
CA5A P35218 1/20 0.66
CA7 P43166 1/20 0.66
CA9 Q16790 1/20 0.66
CA14 Q9ULX7 1/20 0.66
CA5B Q9Y2D0 1/20 0.66
LMNA P02545 1/20 0.63
TP53 P04637 1/20 0.63
TAS1R3 Q7RTX0 7/20 0.62
TAS1R1 Q7RTX1 7/20 0.62
THRA P10827 1/20 0.59
THRB P10828 1/20 0.59

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
SCHEMBL29527237 1.00 KDM4E (0.66) KDM4EALDH1A1CA2PIM1CA12
Hydrochloric Acid SCHEMBL11498190 0.98 KDM4E (0.64) KDM4EALDH1A1CA2PIM1CA12
Methylene Chloride SCHEMBL28849518 0.95 LMNA (0.62) KDM4EALDH1A1CA2PIM1CA12
SCHEMBL31060243 0.88 FLT3 (0.71) KDM4EALDH1A1CA2CA12CA1
SCHEMBL11464783 0.88 PTPN22 (0.57) KDM4EALDH1A1CA2PIM1CA12
SCHEMBL5806070 0.87 TAS1R3 (0.62) KDM4EALDH1A1CA2CA12CA1
SCHEMBL1287553 0.87 KDM4E (0.66) KDM4EALDH1A1CA2CA12CA1
SCHEMBL178096 0.87 ALDH1A1 (0.66) KDM4EALDH1A1CA2CA12CA1
SCHEMBL446971 0.85 TAS1R3 (0.64) KDM4EALDH1A1CA2CA12CA1
SCHEMBL8311483 0.85 TAS1R3 (0.60) KDM4EALDH1A1CA2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069289-B1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXa INHIBITORS SANOFI SA (FR) 2013-10-02 EP claimed
EP-1585757-B1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-08-01 EP claimed
EP-2167077-A2 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR Bayer Schering Pharma Aktiengesellschaft (DE) 2010-03-31 EP claimed
US-20090233949-A1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXA INHIBITORS SANOFI-AVENTIS (FR) 2009-09-17 US claimed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 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-7442793-B2 Peptide deformylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-10-28 US claimed
EP-1384713-B1 4-amino-azepan-3-one derivatives as protease inhibitors SMITHKLINE BEECHAM CORP (US) 2008-10-15 EP claimed
US-20070173542-A1 Peptide deformylase inhibitors GLAXOSMITHKLINE LLC 2007-07-26 US claimed
WO-2001095911-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-12-20 WO claimed
WO-2001096285-A1 BETA-AMINO ACID NITRILE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-12-20 WO claimed
EP-1158986-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-12-05 EP claimed
EP-1140823-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2001-10-10 EP claimed
WO-2001070232-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-09-27 WO claimed
WO-2001034158-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-17 WO claimed
WO-2001034157-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-17 WO claimed
WO-2000038687-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-06 WO claimed
WO-2000039088-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-07-06 WO claimed
EP-0018360-B1 N-(5-METHOXYBENZOFURAN-2-YLCARBONYL)-N'-BENZYLPIPERAZINE AND PROCESS FOR ITS PREPARATION HOECHST AKTIENGESELLSCHAFT (DE) 1981-09-30 EP 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 (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-20090233949-A1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXA INHIBITORS TFPI, F2, F9 KDM4E 3870/4885ALDH1A1 3166/4885CA2 2473/4885
US-20070173542-A1 Peptide deformylase inhibitors PDF, PEPD, DPEP1 KDM4E 2591/4885ALDH1A1 4302/4885CA2 4860/4885
US-20090023741-A1 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR PTGER2, PTGER1, PTGDR2 KDM4E 3048/4885ALDH1A1 834/4885CA2 4597/4885

“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.