SCHEMBL7985663

SCHEMBL7985663

O=C(O)C(=O)Nc1c(O)cccc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.55
KDM4E B2RXH2 3/20 0.50
HPGD P15428 3/20 0.50
ALDH1A1 P00352 3/20 0.50
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
HMGB1 P09429 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NAPRT Q6XQN6 1/20 0.50
G6PD P11413 1/20 0.48
CASP7 P55210 1/20 0.48
CASP6 P55212 1/20 0.48
PLK1 P53350 1/20 0.47
GPR35 Q9HC97 2/20 0.46

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
SCHEMBL30195450 0.85 PTPN11 (0.58) PTPN11KDM4EHPGDALDH1A1CA12
SCHEMBL9622077 0.83 PTPN11 (0.50) PTPN11KDM4EHPGDALDH1A1CA12
SCHEMBL25258585 0.81 PTPN11 (0.55) PTPN11KDM4EHPGDALDH1A1CA12
SCHEMBL31046806 0.81 PTPN11 (0.55) PTPN11KDM4EHPGDALDH1A1CA12
SCHEMBL7848892 0.80 POLB (0.60) KDM4EHPGDALDH1A1NAPRTGPR35
SCHEMBL14802099 0.79 PTPN11 (0.47) PTPN11KDM4EHPGDALDH1A1CA12
SCHEMBL30319262 0.79 PTPN11 (0.73) PTPN11KDM4EHPGDALDH1A1CA12
SCHEMBL12954623 0.77 ALDH1A1 (0.54) PTPN11KDM4EHPGDALDH1A1CA12
SCHEMBL1681296 0.77 CA12 (0.54) PTPN11KDM4EHPGDALDH1A1CA12
SCHEMBL27446615 0.77 ALDH1A1 (0.54) PTPN11KDM4EHPGDALDH1A1CA12

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
EP-1062199-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2000-12-27 EP claimed
WO-1999046236-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 1999-09-16 WO claimed
US-6225329-B1 USEFUL IN THE TREATMENT OF TYPE I DIABETES, TYPE II DIABETES, IMPAIRED GLUCOSE TOLERANCE, INSULIN AUTOIMMUNITY DISEASES WITH DYSFUNCTIONS OF THE COAGULATION SYSTEM, ALLERGIC DISEASES NOVO NORDISK A/S (DK) 2001-05-01 US disclosed
EP-1062199-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2000-12-27 EP disclosed
WO-1999046236-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 1999-09-16 WO disclosed