SCHEMBL5838517

SCHEMBL5838517

O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CC(C(=O)NCc1ccccc1)OC2

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 17/20 0.48
PTPN2 P17706 10/20 0.48
PTPRC P08575 2/20 0.47
PTPRB P23467 2/20 0.47
PTPRE P23469 2/20 0.47
RAB7A P51149 2/20 0.46
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PTPN6 P29350 1/20 0.42
PTPRA P18433 1/20 0.41

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
SCHEMBL5837176 0.85 PTPN1 (0.50) PTPN1PTPN2PTPRCPTPRBPTPRE
SCHEMBL5841331 0.82 RAB7A (0.54) PTPN1PTPN2PTPRCPTPRBPTPRE
SCHEMBL6316036 0.78 PTPN1 (0.47) PTPN1PTPN2PTPRCPTPRBPTPRE
SCHEMBL6322930 0.78 PTPN1 (0.47) PTPN1PTPN2PTPRCPTPRBPTPRE
SCHEMBL6316165 0.77 PTPN1 (0.48) PTPN1PTPN2PTPRCPTPRBPTPRE
SCHEMBL5837051 0.76 PTPN1 (0.50) PTPN1PTPN2PTPRCPTPRBPTPRE
SCHEMBL6206528 0.76 RAB7A (0.55) PTPN1PTPN2PTPRCPTPRBPTPRE
SCHEMBL7676326 0.76 PTPN1 (0.49) PTPN1PTPN2PTPRCPTPRBPTPRE
SCHEMBL6315837 0.75 MAPT (0.53) PTPN1PTPN2PTPRCPTPRBPTPRE
SCHEMBL6322923 0.75 PTPN1 (0.44) PTPN1PTPN2PTPRCPTPRBPTPRE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7019026-B1 Modulators of Protein Tyrosine Phosphatases (PTPases) NOVO NORDISK A/S (DK) 2006-03-28 US claimed
EP-1214325-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2002-06-19 EP claimed
WO-2001019831-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
US-7019026-B1 Modulators of Protein Tyrosine Phosphatases (PTPases) NOVO NORDISK A/S (DK) 2006-03-28 US disclosed