SCHEMBL3864792

SCHEMBL3864792

CC(C)(C)OC(=O)NC(CCSc1ccc(-c2cccc(-c3cccc4c3oc3ccccc34)c2)cc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
SCN9A Q15858 1/20 0.41
SDCBP O00560 1/20 0.41
SDC2 P34741 1/20 0.41
C3AR1 Q16581 1/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
CTSS P25774 3/20 0.40
CTSK P43235 3/20 0.40
CTSB P07858 1/20 0.40
ALOX5 P09917 1/20 0.39
GGPS1 O95749 1/20 0.39
EPHX2 P34913 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
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 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
SCHEMBL4824726 0.96 FNTA (0.45) FNTAFNTBSCN9ASDCBPSDC2
SCHEMBL4824736 0.96 FNTA (0.45) FNTAFNTBSCN9ASDCBPSDC2
SCHEMBL4824730 0.96 FNTA (0.45) FNTAFNTBSCN9ASDCBPSDC2
SCHEMBL3862993 0.94 FNTA (0.44) FNTAFNTBSCN9AC3AR1HDAC4
SCHEMBL3873193 0.93 EPHX2 (0.42) FNTAFNTBSCN9ASDCBPSDC2
SCHEMBL3865769 0.88 SCN9A (0.44) FNTAFNTBSCN9AC3AR1HDAC4
SCHEMBL13897413 0.88 EPHX2 (0.44) FNTAFNTBSDCBPSDC2C3AR1
SCHEMBL4823658 0.88 PPARA (0.45) FNTAFNTBSCN9ASDCBPSDC2
SCHEMBL4823665 0.88 PPARA (0.45) FNTAFNTBSCN9ASDCBPSDC2
SCHEMBL5226400 0.87 EPHX2 (0.42) FNTAFNTBC3AR1HDAC4HDAC1

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 8 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
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
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 FNTA 2426/4885FNTB 2555/4885SCN9A 2679/4885

“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.