SCHEMBL5221068

SCHEMBL5221068

CCCCc1oc2ccccc2c1Cc1c(-c2ccccc2)ccc(OCCCc2ccccc2)c1NC(=O)C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 12/20 0.46
BCL2 P10415 1/20 0.38
BCL2L1 Q07817 1/20 0.38
MCL1 Q07820 1/20 0.38
BAD Q92934 1/20 0.38
SIRT3 Q9NTG7 2/20 0.37
MAPT P10636 1/20 0.37
C5AR1 P21730 1/20 0.36

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
SCHEMBL5227305 0.92 PTPN1 (0.49) PTPN1SIRT3
SCHEMBL3863661 0.83 PTPN1 (0.56) PTPN1SIRT3
SCHEMBL5221073 0.83 PTPN1 (0.46) PTPN1BCL2BCL2L1MCL1BAD
SCHEMBL5227310 0.80 PTPN1 (0.48) PTPN1SIRT3
SCHEMBL3869519 0.76 PTPN1 (0.59) PTPN1SIRT3
SCHEMBL5227320 0.75 PTPN1 (0.48) PTPN1SIRT3
SCHEMBL4467637 0.73 PTPN1 (0.60) PTPN1
SCHEMBL5740965 0.73 PTPN1 (0.51) PTPN1SIRT3MAPT
SCHEMBL4462504 0.72 PTPN1 (0.58) PTPN1
SCHEMBL4462374 0.72 PTPN1 (0.57) PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836182-A2 HETEROCYCLYLBIPHENYL DERIVATES AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS The Institutes for Pharmaceutical Discovery, LLC (US) 2007-09-26 EP disclosed
EP-1814869-A2 SUBSTITUTED AMINO ACIDS AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS The Institutes for Pharmaceutical Discovery, LLC (US) 2007-08-08 EP disclosed
WO-2006055725-A2 SUBSTITUTED AMINO ACIDS AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2006-05-26 WO disclosed
WO-2006055625-A2 HETEROCYCLYLBIPHENYL DERIVATES AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2006-05-26 WO disclosed
EP-1620422-A2 PHENYL SUBSTITUTED CARBOXYLIC ACIDS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE-1B The Institutes for Pharmaceutical Discovery, LLC (US) 2006-02-01 EP disclosed
WO-2004099170-A2 PHENYL SUBSTITUTED CARBOXYLIC ACIDS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE-1B THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2004-11-18 WO disclosed