SCHEMBL3867978

SCHEMBL3867978

COC(=O)C(=CCCc1ccc(Br)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
RECQL P46063 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
CACNA1B Q00975 1/20 0.36
GPR52 Q9Y2T5 1/20 0.35
FPR2 P25090 2/20 0.35
FPR3 P25089 1/20 0.35
POLB P06746 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
GAA P10253 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CA2 P00918 3/20 0.34
AAK1 Q2M2I8 2/20 0.34
MAPT P10636 1/20 0.34
CA1 P00915 2/20 0.33

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
SCHEMBL6249304 0.88 CA12 (0.43) CTSSCTSKCA1IDO1AKT1
SCHEMBL6249303 0.88 CA12 (0.43) CTSSCTSKCA1IDO1AKT1
SCHEMBL26831798 0.73 TDP1 (0.34) CTSKGAAMEN1KMT2ACA2
SCHEMBL19519894 0.73 CTSK (0.33) CTSSCTSKGAAMEN1KMT2A
SCHEMBL24298555 0.72 CA12 (0.35) CTSSCTSKGAAMEN1KMT2A
SCHEMBL3863085 0.72 CA12 (0.35) NPC1RAB9ACTSSCTSKGAA
SCHEMBL26838901 0.72 CA12 (0.35) CTSSCTSKGAAMEN1KMT2A
SCHEMBL1065312 0.72 CA2 (0.55) NPC1RECQLRAB9ASMN1; SMN2CTSS
SCHEMBL19519893 0.71 ALDH1A1 (0.33) CTSKALDH1A1CA2MAPTCA1
SCHEMBL30754110 0.71 NPC1 (0.47) NPC1RECQLRAB9ASMN1; SMN2CTSS

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
US-7498356-B2 Substituted amino carboxylic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY LLC (US) 2009-03-03 US disclosed
US-7358248-B2 Substituted amino carboxylic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC (US) 2008-04-15 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
EP-1622886-A2 SUBSTITUTED AMINO CARBOXYLIC ACIDS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE-1B The Institutes for Pharmaceutical Discovery, LLC (US) 2006-02-08 EP disclosed
US-20040266789-A1 Substituted amino carboxylic acids INSTITUTE FOR DIABETES DISCOVERY, L.L.C. 2004-12-30 US disclosed
WO-2004099171-A2 SUBSTITUTED AMINO CARBOXYLIC ACIDS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE-1B THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2004-11-18 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 (2 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 NPC1 2896/4885RECQL 2689/4885RAB9A 2407/4885
US-20040266789-A1 Substituted amino carboxylic acids PTPRS, PPM1B, PTPRO NPC1 2788/4885RECQL 2537/4885RAB9A 2475/4885

“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.