SCHEMBL5837862

SCHEMBL5837862

COc1ccccc1CNCC1Cc2c(sc(NC(=O)C(=O)O)c2C(=O)O)CO1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 11/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
RAB7A P51149 3/20 0.43
PTPN2 P17706 5/20 0.42
PTPRC P08575 2/20 0.41
PTPRB P23467 2/20 0.41
PTPRE P23469 2/20 0.41
PTPN6 P29350 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL7680102 0.92 PTPN1 (0.44) PTPN1KDM4EALDH1A1MEN1KMT2A
SCHEMBL7676326 0.80 PTPN1 (0.49) PTPN1RAB7APTPN2PTPRCPTPRB
SCHEMBL6206528 0.78 RAB7A (0.55) PTPN1KDM4EALDH1A1MEN1KMT2A
SCHEMBL6317112 0.78 PTPN1 (0.44) PTPN1KDM4EALDH1A1MEN1KMT2A
SCHEMBL6316667 0.77 MEN1 (0.50) PTPN1KDM4EALDH1A1MEN1KMT2A
SCHEMBL6322930 0.77 PTPN1 (0.47) PTPN1ALDH1A1RAB7APTPN2PTPRC
SCHEMBL6316036 0.77 PTPN1 (0.47) PTPN1ALDH1A1RAB7APTPN2PTPRC
SCHEMBL6314943 0.76 KMT2A (0.56) PTPN1ALDH1A1MEN1KMT2ARAB7A
SCHEMBL6395534 0.76 SMN1; SMN2 (0.50) PTPN1KDM4EALDH1A1RAB7APTPN2
SCHEMBL6323697 0.76 PTPN1 (0.45) PTPN1RAB7APTPN2PTPRCPTPRB

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-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
EP-1214325-B1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK AS (DK) 2005-11-09 EP disclosed