SCHEMBL3867006

SCHEMBL3867006

COC(=O)C(CCOc1ccc(-c2cccc(-c3cccc4c3oc3ccccc34)c2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.44
CNR2 P34972 2/20 0.44
ALOX5 P09917 1/20 0.39
GGPS1 O95749 1/20 0.39
SCN9A Q15858 2/20 0.39
PTPN1 P18031 1/20 0.38
HDAC4 P56524 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
BCL2 P10415 1/20 0.37
CTSS P25774 2/20 0.37
CTSK P43235 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
PLIN1 O60240 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
PLIN5 Q00G26 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL3865769 0.93 SCN9A (0.44) BCHECNR2ALOX5GGPS1SCN9A
SCHEMBL3873193 0.89 EPHX2 (0.42) BCHECNR2ALOX5GGPS1SCN9A
SCHEMBL4818662 0.88 PTPN1 (0.47) BCHECNR2SCN9APTPN1BCL2
SCHEMBL4818673 0.88 PTPN1 (0.47) BCHECNR2SCN9APTPN1BCL2
SCHEMBL3862129 0.87 PRMT5 (0.42) BCHECNR2ALOX5GGPS1SCN9A
SCHEMBL3864623 0.86 SCN9A (0.44) BCHECNR2ALOX5GGPS1SCN9A
SCHEMBL5226400 0.86 EPHX2 (0.42) BCHECNR2ALOX5GGPS1HDAC4
SCHEMBL3863211 0.84 GGPS1 (0.45) ALOX5GGPS1HDAC4HDAC1HDAC8
SCHEMBL13897413 0.84 EPHX2 (0.44) BCHECNR2ALOX5GGPS1HDAC4
SCHEMBL5199590 0.82 C3AR1 (0.41) ALOX5GGPS1PTPN1HDAC8PRMT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1814869-A2 SUBSTITUTED AMINO ACIDS AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS The Institutes for Pharmaceutical Discovery, LLC (US) 2007-08-08 EP claimed
WO-2006055725-A2 SUBSTITUTED AMINO ACIDS AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2006-05-26 WO claimed
US-7498356-B2 Substituted amino carboxylic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY LLC (US) 2009-03-03 US disclosed
US-7498356-B2 Substituted amino carboxylic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY LLC (US) 2009-03-03 US disclosed
EP-1814869-A2 SUBSTITUTED AMINO ACIDS AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS The Institutes for Pharmaceutical Discovery, LLC (US) 2007-08-08 EP disclosed
US-20060122223-A1 Substituted amino carboxylic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC 2006-06-08 US disclosed
WO-2006055725-A2 SUBSTITUTED AMINO ACIDS AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2006-05-26 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 (1 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-20060122223-A1 Substituted amino carboxylic acids PTPRS, PTPRO, PTPRJ BCHE 568/4885CNR2 4200/4885ALOX5 1550/4885

“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.