SCHEMBL5837463

SCHEMBL5837463

COc1cccc2c1C(=O)N(C[C@@H]1Cc3c(sc(NC(=O)C(=O)O)c3C(=O)O)CN1)C2

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 16/20 0.42
PTPN2 P17706 11/20 0.38
PTPRC P08575 1/20 0.38
PARP1 P09874 1/20 0.37
MAPK1 P28482 1/20 0.37
PTPRA P18433 1/20 0.36
MAPT P10636 1/20 0.35
NR1I2 O75469 1/20 0.35
UGCG Q16739 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
SCHEMBL5838412 1.00 PTPN1 (0.42) PTPN1PTPN2PTPRCPARP1MAPK1
SCHEMBL5838018 1.00 PTPN1 (0.42) PTPN1PTPN2PTPRCPARP1MAPK1
SCHEMBL5837482 0.90 PTPN1 (0.48) PTPN1PTPN2PTPRCPARP1PTPRA
SCHEMBL5837663 0.89 PTPN1 (0.40) PTPN1PTPN2PTPRCPARP1PTPRA
SCHEMBL7542803 0.85 PARP1 (0.37) PARP1MAPK1MAPTNR1I2UGCG
SCHEMBL7564458 0.85 PARP1 (0.37) PARP1MAPK1MAPTNR1I2UGCG
SCHEMBL5837530 0.84 PTPN1 (0.44) PTPN1PTPN2PTPRCPTPRA
SCHEMBL5837583 0.84 PTPN1 (0.44) PTPN1PTPN2PTPRCPTPRA
SCHEMBL5837650 0.80 PTPN1 (0.41) PTPN1PTPN2PTPRCPTPRA
SCHEMBL5838719 0.80 PTPN1 (0.41) PTPN1PTPN2PTPRCPTPRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115624-B1 Method of inhibiting protein tyrosine phosphatase 1B and/or T-cell protein tyrosine phosphatase 4 and/or other PTPases with an Asp residue at position 48 NOVO NORDISK A/S (DK) 2006-10-03 US claimed
EP-1214324-B1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK AS (DK) 2006-06-14 EP claimed
US-6410556-B1 ANTIDIABETIC AGENTS NOVO NORDISK A/S (DK) 2002-06-25 US claimed
EP-1214324-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2002-06-19 EP claimed
WO-2001019830-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2001-03-22 WO claimed
US-7115624-B1 Method of inhibiting protein tyrosine phosphatase 1B and/or T-cell protein tyrosine phosphatase 4 and/or other PTPases with an Asp residue at position 48 NOVO NORDISK A/S (DK) 2006-10-03 US disclosed
EP-1214324-B1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK AS (DK) 2006-06-14 EP disclosed
US-6410556-B1 ANTIDIABETIC AGENTS NOVO NORDISK A/S (DK) 2002-06-25 US disclosed
EP-1214324-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2002-06-19 EP disclosed
WO-2001019830-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2001-03-22 WO disclosed