SCHEMBL8111180

SCHEMBL8111180

CCCCCNC(=O)[C@H](Cc1ccc(OC(C(=O)O)C(=O)O)cc1)NC(=O)NC(Cc1ccc(S(N)(=O)=O)cc1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLG P00747 3/20 0.47
PRSS1 P07477 3/20 0.47
PRSS2 P07478 3/20 0.47
PRSS3 P35030 3/20 0.47
PTPN1 P18031 7/20 0.44
PTPN22 Q9Y2R2 2/20 0.44
KLKB1 P03952 1/20 0.42
KIFC1 Q9BW19 2/20 0.40
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA4 P22748 3/20 0.40
CA9 Q16790 3/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CTSL P07711 1/20 0.39

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
SCHEMBL7659206 0.84 PLG (0.49) PLGPRSS1PRSS2PRSS3PTPN1
SCHEMBL4315647 0.76 KLKB1 (0.56) PLGPRSS1PRSS2PRSS3PTPN1
SCHEMBL4315645 0.76 KLKB1 (0.56) PLGPRSS1PRSS2PRSS3PTPN1
SCHEMBL6571743 0.76 KLKB1 (0.56) PLGPRSS1PRSS2PRSS3PTPN1
SCHEMBL6575495 0.74 PTPN1 (0.50) PLGPRSS1PRSS2PRSS3PTPN1
SCHEMBL6575522 0.74 PLG (0.50) PLGPRSS1PRSS2PRSS3PTPN1
SCHEMBL8115466 0.73 KLKB1 (0.51) PLGPRSS1PRSS2PRSS3PTPN1
SCHEMBL6571390 0.72 KLKB1 (0.51) PLGPRSS1PRSS2PRSS3PTPN1
SCHEMBL6571395 0.72 KLKB1 (0.51) PLGPRSS1PRSS2PRSS3PTPN1
SCHEMBL6575213 0.72 PTPN1 (0.54) PTPN1PTPN22

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-1019364-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE PHARMACIA & UPJOHN COMPANY (US) 2000-07-19 EP disclosed
WO-1999011606-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE PHARMACIA & UPJOHN COMPANY (US) 1999-03-11 WO disclosed