SCHEMBL5837579

SCHEMBL5837579

O=C(O)C(=O)Nc1sc2c(c1C(=O)O)C[C@@H](CNC1=NS(=O)(=O)c3ccccc31)NC2

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 17/20 0.53
PTPN2 P17706 9/20 0.48
PTPRB P23467 2/20 0.48
KDM4E B2RXH2 2/20 0.41
HPGD P15428 1/20 0.41
PTPRC P08575 2/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
PTPRA P18433 1/20 0.36
PTPRE P23469 1/20 0.36
PTPN6 P29350 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL5837572 1.00 PTPN1 (0.53) PTPN1PTPN2PTPRBKDM4EHPGD
SCHEMBL5837812 0.84 HPGD (0.45) PTPN1PTPN2PTPRBKDM4EHPGD
SCHEMBL7574709 0.84 PTPN1 (0.41) PTPN1PTPN2PTPRBKDM4EHPGD
SCHEMBL6050042 0.84 PTPN1 (0.41) PTPN1PTPN2PTPRBKDM4EHPGD
SCHEMBL5838458 0.80 PTPN1 (0.55) PTPN1PTPN2PTPRBKDM4EHPGD
SCHEMBL5838274 0.77 PTPN1 (0.45) PTPN1PTPN2PTPRBPTPRCNPC1
SCHEMBL7519532 0.77 PTPN1 (0.47) PTPN1PTPN2PTPRBKDM4EHPGD
SCHEMBL5836756 0.75 PTPN1 (0.45) PTPN1PTPN2PTPRBPTPRCPTPRA
SCHEMBL5838486 0.75 PTPN1 (0.45) PTPN1PTPN2PTPRBPTPRCPTPRA
SCHEMBL7522183 0.74 PTPN1 (0.46) PTPN1PTPN2PTPRBHPGDPTPRC

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
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
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