SCHEMBL6151250

SCHEMBL6151250

CCCCCNC(=O)[C@H](Cc1cccc(N2CC(=O)N(Cc3ccc(OC)cc3)S2(=O)=O)c1)NC(=O)OC(F)CCC

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.44
CTSL P07711 4/20 0.38
CTSS P25774 4/20 0.38
PLG P00747 9/20 0.38
PRSS1 P07477 9/20 0.38
PRSS2 P07478 9/20 0.38
PRSS3 P35030 9/20 0.38
KLKB1 P03952 1/20 0.36
ITGB3 P05106 1/20 0.35
ITGAV P06756 1/20 0.35
TACR2 P21452 1/20 0.35

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
SCHEMBL6141529 0.90 PTPN1 (0.49) PTPN1CTSLCTSSPLGPRSS1
SCHEMBL1732320 0.89 PTPN1 (0.47) PTPN1CTSLCTSSPLGPRSS1
SCHEMBL1732438 0.87 PTPN1 (0.53) PTPN1PLGPRSS1PRSS2PRSS3
SCHEMBL1732436 0.87 PTPN1 (0.53) PTPN1PLGPRSS1PRSS2PRSS3
SCHEMBL1731127 0.84 PTPN1 (0.41) PTPN1PLGPRSS1PRSS2PRSS3
SCHEMBL1731123 0.84 PTPN1 (0.41) PTPN1PLGPRSS1PRSS2PRSS3
SCHEMBL6141344 0.81 PTPN1 (0.48) PTPN1CTSLCTSSPLGPRSS1
SCHEMBL6282167 0.81 PTPN1 (0.62) PTPN1CTSLPLGPRSS1PRSS2
SCHEMBL6925818 0.81 PTPN1 (0.47) PTPN1PLGPRSS1PRSS2PRSS3
SCHEMBL1732761 0.81 PTPN1 (0.54) PTPN1PLGPRSS1PRSS2PRSS3

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-1492780-A1 5-SUBSTITUTED 1,1-DIOXO-[1,2,5]THIAZOLIDINE-3-ONE DERIVATIVES AS PTPASE 1B INHIBITORS Novartis AG (CH) 2005-01-05 EP disclosed
WO-2003082841-A1 5-SUBSTITUTED 1,1-DIOXO-`1,2,5!THIAZOLIDINE-3-ONE DERIVATIVES AS PTPASE 1B INHIBITORS NOVARTIS AG (CH) 2003-10-09 WO disclosed