SCHEMBL6436181

SCHEMBL6436181

NC(=O)C(=O)Nc1sc2c(c1C(=O)O)C1CCN(C2)C1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 14/20 0.39
PTPN2 P17706 6/20 0.39
PTPRC P08575 3/20 0.35
PTPRB P23467 2/20 0.35
PTPRE P23469 2/20 0.35
PTPN6 P29350 1/20 0.35
KMT2A Q03164 3/20 0.34
POLB P06746 2/20 0.34
CASP6 P55212 1/20 0.34
PTPRA P18433 3/20 0.34
MEN1 O00255 1/20 0.33

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
SCHEMBL6415894 0.90 PTPN1 (0.48) PTPN1PTPN2PTPRCPTPRBPTPRE
SCHEMBL6419481 0.84 PTPN1 (0.47) PTPN1PTPN2PTPRCPTPRBPTPRE
SCHEMBL6415875 0.83 PTPN1 (0.50) PTPN1PTPN2PTPRCPTPRBPTPRE
SCHEMBL6416126 0.76 PTPN1 (0.38) PTPN1PTPN2PTPRCPTPRBPTPRE
SCHEMBL7029267 0.75 KMT2A (0.33) PTPN1KMT2APOLBCASP6MEN1
SCHEMBL6416111 0.71 PTPN1 (0.45) PTPN1PTPN2PTPRCPTPRBPTPRE
SCHEMBL6414118 0.71 PTPN1 (0.48) PTPN1PTPN2PTPRCPTPRBPTPRE
SCHEMBL6416872 0.70 PTPN1 (0.44) PTPN1PTPN2PTPRCPTPRBPTPRE
SCHEMBL7850173 0.65 PTPN1 (0.78) PTPN1PTPN2PTPRCPTPRBPTPRE
SCHEMBL6316048 0.64 KDM4E (0.46) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1404682-B1 METHOD OF INHIBITING PTP 1B AND/OR T-CELL PTP AND/OR OTHER PTPASES WITH AN ASP RESIDUE AT POSITION 48 NOVO NORDISK AS (DK) 2005-09-14 EP disclosed