SCHEMBL5838458

SCHEMBL5838458

O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCNC2CNC1=NS(=O)(=O)c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 15/20 0.55
PTPN2 P17706 8/20 0.55
PTPRB P23467 2/20 0.55
RAB9A P51151 3/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
PTPRC P08575 2/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PTPRA P18433 1/20 0.35
PTPRE P23469 1/20 0.34
PTPN6 P29350 1/20 0.34

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
SCHEMBL5837646 0.84 HPGD (0.42) PTPN1PTPN2PTPRBRAB9AKDM4E
SCHEMBL5837572 0.80 PTPN1 (0.53) PTPN1PTPN2PTPRBRAB9AKDM4E
SCHEMBL5837579 0.80 PTPN1 (0.53) PTPN1PTPN2PTPRBRAB9AKDM4E
SCHEMBL5837471 0.77 PTPN1 (0.46) PTPN1PTPN2PTPRBRAB9ANPC1
SCHEMBL5770525 0.77 PTPN1 (0.65) PTPN1PTPN2PTPRBRAB9ANPC1
SCHEMBL5837672 0.75 PTPN1 (0.50) PTPN1PTPN2PTPRBPTPRCPTPRA
SCHEMBL5768909 0.75 PTPN1 (0.62) PTPN1PTPN2PTPRBPTPRCPTPRA
SCHEMBL7512227 0.75 PTPN1 (0.46) PTPN1PTPN2PTPRBPTPRCPTPRA
SCHEMBL5771521 0.74 PTPN1 (0.61) PTPN1PTPN2PTPRBRAB9ALMNA
SCHEMBL7520290 0.73 PTPN1 (0.56) PTPN1PTPN2PTPRBPTPRCPTPRA

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