SCHEMBL3865769

SCHEMBL3865769

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.44
BCHE P06276 1/20 0.44
CNR2 P34972 1/20 0.44
PTPN1 P18031 2/20 0.44
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
C3AR1 Q16581 1/20 0.40
SUCNR1 Q9BXA5 6/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
BCL2 P10415 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
ALOX5 P09917 1/20 0.39
GGPS1 O95749 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39

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
SCHEMBL4818662 0.96 PTPN1 (0.47) SCN9ABCHECNR2PTPN1ITGB3
SCHEMBL4818673 0.96 PTPN1 (0.47) SCN9ABCHECNR2PTPN1ITGB3
SCHEMBL3862129 0.94 PRMT5 (0.42) SCN9ABCHECNR2PTPN1ITGB3
SCHEMBL3864623 0.93 SCN9A (0.44) SCN9ABCHECNR2PTPN1ITGB3
SCHEMBL3867006 0.93 BCHE (0.44) SCN9ABCHECNR2PTPN1SUCNR1
SCHEMBL3864792 0.88 FNTA (0.43) SCN9APTPN1C3AR1HDAC4HDAC1
SCHEMBL5199590 0.88 C3AR1 (0.41) PTPN1ITGB3C3AR1ALOX5GGPS1
SCHEMBL3867265 0.87 C3AR1 (0.49) SCN9APTPN1C3AR1HDAC4HDAC1
SCHEMBL3862993 0.86 FNTA (0.44) SCN9AC3AR1HDAC4HDAC1CTSB
SCHEMBL13897511 0.84 C3AR1 (0.48) SCN9AC3AR1HDAC4HDAC1CTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7498356-B2 Substituted amino carboxylic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY LLC (US) 2009-03-03 US claimed
EP-1814869-A2 SUBSTITUTED AMINO ACIDS AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS The Institutes for Pharmaceutical Discovery, LLC (US) 2007-08-08 EP claimed
US-20060122223-A1 Substituted amino carboxylic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC 2006-06-08 US 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
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 SCN9A 2679/4885BCHE 568/4885CNR2 4200/4885

“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.