SCHEMBL5741314

SCHEMBL5741314

NC(=O)Nc1sc2c(c1C(=O)O)CCOC2

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.75
PTPRC P08575 2/20 0.75
PTPN2 P17706 2/20 0.75
PTPRB P23467 2/20 0.75
PTPRE P23469 2/20 0.75
RAB7A P51149 1/20 0.59
CFTR P13569 1/20 0.55
KMT2A Q03164 2/20 0.48
NOD1 Q9Y239 1/20 0.48
CNR2 P34972 6/20 0.47
PTPN6 P29350 1/20 0.47
ANO1 Q5XXA6 2/20 0.46
POLB P06746 1/20 0.46
CASP6 P55212 1/20 0.46
CXCR2 P25025 1/20 0.46
CNR1 P21554 1/20 0.46

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
SCHEMBL5449075 0.90 CFTR (0.66) PTPN1PTPRCPTPN2PTPRBPTPRE
SCHEMBL4312414 0.86 PTPN1 (1.00) PTPN1PTPRCPTPN2PTPRBPTPRE
SCHEMBL5453432 0.83 PTPN1 (0.71) PTPN1PTPRCPTPN2PTPRBPTPRE
SCHEMBL29601491 0.82 PTPRC (0.70) PTPN1PTPRCPTPN2PTPRBPTPRE
SCHEMBL4141589 0.82 PTPRC (0.70) PTPN1PTPRCPTPN2PTPRBPTPRE
SCHEMBL4090461 0.81 CNR2 (0.70) PTPN1PTPRCPTPN2PTPRBPTPRE
SCHEMBL3760411 0.80 PTPN1 (0.67) PTPN1PTPRCPTPN2PTPRBPTPRE
SCHEMBL8290653 0.79 CFTR (0.67) PTPN1PTPRCPTPN2PTPRBPTPRE
SCHEMBL5445117 0.79 PTPRC (0.65) PTPN1PTPRCPTPN2PTPRBPTPRE
SCHEMBL5742528 0.78 PTPN1 (0.64) PTPN1PTPRCPTPN2PTPRBPTPRE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1670804-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC Biotech AG (DE) 2006-06-21 EP claimed
WO-2005023818-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC BIOTECH AG (DE) 2005-03-17 WO claimed