SCHEMBL12177458

SCHEMBL12177458

COc1ccc(CN2C(=O)S/C(=C\c3cccc(-c4ccc(C(=O)O)cc4)c3)C2=O)cc1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 18/20 0.71
▸ ACP1 P24666 16/20 0.71
▸ PTPN2 P17706 11/20 0.64
▸ PTPRF P10586 2/20 0.64
▸ PTPRB P23467 2/20 0.64
▸ ENPP2 Q13822 2/20 0.62

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
SCHEMBL12177396 0.94 ENPP2 (0.68) PTPN1ACP1PTPN2PTPRFPTPRB
SCHEMBL12177353 0.92 PIM1 (0.59) PTPN1ACP1ENPP2
SCHEMBL12177416 0.91 PTPN1 (0.60) PTPN1ACP1PTPN2PTPRFPTPRB
SCHEMBL12177549 0.90 PPARG (0.64) PTPN1ACP1PTPN2ENPP2
SCHEMBL12177336 0.89 PTPN1 (0.74) PTPN1ACP1PTPN2PTPRFPTPRB
SCHEMBL12177785 0.89 PIM1 (0.56) PTPN1ACP1ENPP2
SCHEMBL12177324 0.89 PPARG (0.62) PTPN1ACP1ENPP2
SCHEMBL12177161 0.84 PPARG (0.64) PTPN1ACP1PTPN2PTPRFPTPRB
SCHEMBL12177684 0.84 ENPP2 (0.67) PTPN1ACP1PTPN2PTPRFPTPRB
SCHEMBL12177314 0.83 PTPN1 (0.58) PTPN1ACP1PTPN2PTPRFPTPRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011135303-A2 UBIQUITINATION MODULATORS ITI SCOTLAND LIMITED (GB) 2011-11-03 — — WO disclosed
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