SCHEMBL7659206

SCHEMBL7659206

CCCCCNC(=O)[C@H](Cc1ccc(OC(C(=O)O)C(=O)O)cc1)NC(=O)N(Cc1ccc(S(N)(=O)=O)cc1)Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLG P00747 6/20 0.49
PRSS1 P07477 6/20 0.49
PRSS2 P07478 6/20 0.49
PRSS3 P35030 6/20 0.49
PTPN1 P18031 5/20 0.43
PTPN22 Q9Y2R2 2/20 0.42
KLKB1 P03952 2/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA4 P22748 2/20 0.41
CA9 Q16790 2/20 0.41
KIFC1 Q9BW19 3/20 0.40
PTGES O14684 2/20 0.40

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
SCHEMBL6575495 0.90 PTPN1 (0.50) PLGPRSS1PRSS2PRSS3PTPN1
SCHEMBL6575522 0.89 PLG (0.50) PLGPRSS1PRSS2PRSS3PTPN1
SCHEMBL8111180 0.84 PLG (0.47) PLGPRSS1PRSS2PRSS3PTPN1
SCHEMBL6572768 0.84 KLKB1 (0.51) PLGPRSS1PRSS2PRSS3PTPN1
SCHEMBL6573134 0.80 PLG (0.49) PLGPRSS1PRSS2PRSS3PTPN1
SCHEMBL6575449 0.79 KLKB1 (0.49) PLGPRSS1PRSS2PRSS3PTPN1
SCHEMBL6575442 0.79 KLKB1 (0.49) PLGPRSS1PRSS2PRSS3PTPN1
SCHEMBL6572853 0.75 PLG (0.54) PLGPRSS1PRSS2PRSS3PTPN1
SCHEMBL6572858 0.75 PLG (0.54) PLGPRSS1PRSS2PRSS3PTPN1
SCHEMBL8110572 0.73 KLKB1 (0.43) PLGPRSS1PRSS2PRSS3PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6353023-B1 AROMATIC COMPOUNDS WITH AMIDE GROUPS PHARMACIA & UPJOHN COMPANY 2002-03-05 US claimed
EP-1019364-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE PHARMACIA & UPJOHN COMPANY (US) 2000-07-19 EP claimed
WO-1999011606-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE PHARMACIA & UPJOHN COMPANY (US) 1999-03-11 WO claimed
US-6410585-B1 THERAPY FOR NON-INSULIN DEPEND DIABETES BIOVITRUM AB (SE) 2002-06-25 US disclosed
US-6353023-B1 AROMATIC COMPOUNDS WITH AMIDE GROUPS PHARMACIA & UPJOHN COMPANY 2002-03-05 US disclosed
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