SCHEMBL3862129

SCHEMBL3862129

CC(C)(C)OC(=O)NC(CCOc1cccc(-c2cccc(-c3cccc4c3oc3ccccc34)c2)c1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
C3AR1 Q16581 1/20 0.42
SCN9A Q15858 1/20 0.41
GGPS1 O95749 1/20 0.40
BCHE P06276 1/20 0.40
CNR2 P34972 1/20 0.40
PTPN1 P18031 2/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
ACE P12821 1/20 0.38
CTSS P25774 2/20 0.38
CTSK P43235 2/20 0.38
CTSB P07858 1/20 0.38
ALOX5 P09917 1/20 0.38
HDAC3 O15379 1/20 0.38

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
SCHEMBL3864623 0.96 SCN9A (0.44) PRMT5WDR77C3AR1SCN9AGGPS1
SCHEMBL3865769 0.94 SCN9A (0.44) C3AR1SCN9AGGPS1BCHECNR2
SCHEMBL4818673 0.90 PTPN1 (0.47) C3AR1SCN9ABCHECNR2PTPN1
SCHEMBL4818662 0.90 PTPN1 (0.47) C3AR1SCN9ABCHECNR2PTPN1
SCHEMBL3867006 0.87 BCHE (0.44) PRMT5WDR77SCN9AGGPS1BCHE
SCHEMBL3862993 0.86 FNTA (0.44) C3AR1SCN9AGGPS1FNTAFNTB
SCHEMBL3864792 0.86 FNTA (0.43) C3AR1SCN9AGGPS1PTPN1FNTA
SCHEMBL13897511 0.85 C3AR1 (0.48) C3AR1SCN9AGGPS1FNTAFNTB
SCHEMBL3863465 0.85 C3AR1 (0.48) C3AR1SCN9AGGPS1FNTAFNTB
SCHEMBL3867265 0.84 C3AR1 (0.49) C3AR1SCN9AGGPS1PTPN1FNTA

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 PRMT5 567/4885WDR77 3027/4885C3AR1 3702/4885

“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.