SCHEMBL12177447

SCHEMBL12177447

C=CCN1C(=O)S/C(=C\c2ccc(-c3ccc(C(=O)O)cc3)s2)C1=O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTPN22 Q9Y2R2 6/20 0.55
▸ ALDH1A1 P00352 2/20 0.47
▸ PTPN1 P18031 5/20 0.46
▸ ACP1 P24666 4/20 0.46
▸ KDR P35968 1/20 0.44
▸ ENPP2 Q13822 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ NLRP3 Q96P20 1/20 0.42
▸ PTPRF P10586 1/20 0.42
▸ PTPN2 P17706 1/20 0.42
▸ PTPRB P23467 1/20 0.42

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
SCHEMBL12177157 0.87 ALDH1A1 (0.52) PTPN22ALDH1A1GAASMN1; SMN2
SCHEMBL12177376 0.85 ALDH1A1 (0.50) PTPN22ALDH1A1GAASMN1; SMN2
SCHEMBL12177339 0.84 PTPN1 (0.61) PTPN22ALDH1A1PTPN1ACP1GAA
SCHEMBL12177374 0.83 PTPN1 (0.61) PTPN22PTPN1ACP1ENPP2NLRP3
SCHEMBL12177132 0.82 ALDH1A1 (0.50) PTPN22ALDH1A1PTPN1ACP1KDR
SCHEMBL12177514 0.80 PTPN22 (0.50) PTPN22ALDH1A1SMN1; SMN2
SCHEMBL12177314 0.79 PTPN1 (0.58) PTPN22PTPN1ACP1ENPP2PTPRF
SCHEMBL12177763 0.78 ENPP2 (0.69) PTPN22ENPP2
SCHEMBL12177762 0.77 CISD1 (0.49) PTPN22ALDH1A1PTPN1GAASMN1; SMN2
SCHEMBL12177341 0.76 AKR1B1 (0.58) ALDH1A1PTPN1ACP1ENPP2GAA

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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