SCHEMBL6574796

SCHEMBL6574796

CCCCCNC(=O)[C@H](Cc1ccc(OC(C(=O)O)C(=O)O)cc1)NC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 11/20 0.57
PTPN22 Q9Y2R2 2/20 0.57
PTPRA P18433 1/20 0.53
CA2 P00918 1/20 0.51
CTSS P25774 2/20 0.48
CTSK P43235 2/20 0.48
REN P00797 1/20 0.46
CCKAR P32238 3/20 0.46
CCKBR P32239 3/20 0.46
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
PGGT1B P53609 1/20 0.46
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45

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
SCHEMBL6572625 0.91 PTPN1 (0.67) PTPN1PTPN22PTPRACTSSCTSK
SCHEMBL6572629 0.91 PTPN1 (0.67) PTPN1PTPN22PTPRACTSSCTSK
SCHEMBL6573618 0.90 PTPN1 (0.59) PTPN1PTPN22PTPRACTSSCTSK
SCHEMBL6571465 0.90 PTPN1 (0.65) PTPN1PTPN22PTPRACTSSCTSK
SCHEMBL6572831 0.89 PTPN1 (0.64) PTPN1PTPN22PTPRACTSSCTSK
SCHEMBL6572579 0.89 PTPN1 (0.64) PTPN1PTPN22PTPRACTSSCTSK
SCHEMBL6572795 0.89 PTPN1 (0.61) PTPN1PTPN22PTPRACTSSCTSK
SCHEMBL6573532 0.89 PTPN1 (0.60) PTPN1PTPN22PTPRACTSSCTSK
SCHEMBL6574701 0.88 PTPN1 (0.60) PTPN1PTPN22PTPRACTSSCTSK
SCHEMBL6571334 0.88 PTPN1 (0.60) PTPN1PTPN22PTPRACTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019364-B1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE BIOVITRUM AB (SE) 2004-06-09 EP disclosed
US-6410585-B1 THERAPY FOR NON-INSULIN DEPEND DIABETES BIOVITRUM AB (SE) 2002-06-25 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