SCHEMBL6310639

SCHEMBL6310639

Cc1[nH]cc(NC(=O)C(=O)O)c1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.53
GPR35 Q9HC97 8/20 0.47
PTPN1 P18031 9/20 0.46
PTPN2 P17706 4/20 0.46
PTPRC P08575 3/20 0.46
PTPRB P23467 3/20 0.46
PTPRE P23469 3/20 0.46
PTPN6 P29350 3/20 0.46
HTT P42858 1/20 0.41
PTPRA P18433 1/20 0.37
PTPRF P10586 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
SCHEMBL27558459 0.88 NOTUM (0.52) NOTUMGPR35PTPN1PTPN2PTPRC
SCHEMBL6312422 0.85 NOTUM (0.49) NOTUMGPR35PTPN1PTPN2PTPRC
SCHEMBL1082810 0.70 NOTUM (1.00) NOTUMGPR35HTT
SCHEMBL2804501 0.69 NOTUM (0.65) NOTUMHTT
SCHEMBL7974559 0.68 KDM4E (0.57) GPR35PTPN1PTPN2PTPRCPTPRB
SCHEMBL11835239 0.67 GPR35 (0.64) GPR35PTPN1PTPN2PTPRCPTPRB
SCHEMBL9199991 0.67 HTT (0.54) NOTUMHTT
SCHEMBL17363252 0.66 NPSR1 (0.44) NOTUMHTT
SCHEMBL31748649 0.66 NOTUM (0.73) NOTUMHTT
SCHEMBL11837698 0.64 GPR35 (1.00) GPR35PTPN1PTPN2PTPRCPTPRB

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020165398-A1 Modulators of protein tyrosine phosphatases (PTPases) JEPPESEN LONE (DK) 2002-11-07 US claimed
US-20020002199-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2002-01-03 US claimed
EP-1062204-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2000-12-27 EP claimed
WO-1999046244-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 1999-09-16 WO claimed
US-20050119332-A1 Substituted thiophene compounds as modulators of protein tyrosine phosphatases (PTPases) JEPPESEN LONE (DK) 2005-06-02 US disclosed
US-20020165398-A1 Modulators of protein tyrosine phosphatases (PTPases) JEPPESEN LONE (DK) 2002-11-07 US disclosed
US-20020002199-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2002-01-03 US disclosed
EP-1080068-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES Novo Nordisk A/S (DK) 2001-03-07 EP disclosed
EP-1062204-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2000-12-27 EP disclosed
WO-1999046244-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 1999-09-16 WO disclosed
WO-1999046237-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES NOVO NORDISK A/S (DK) 1999-09-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020165398-A1 Modulators of protein tyrosine phosphatases (PTPases) PTPRCAP, PTPRS, PTPRO NOTUM 3014/4885GPR35 1740/4885PTPN1 7/4885
US-20020002199-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) PTPRCAP, PTPRS, PTPRA NOTUM 3002/4885GPR35 1716/4885PTPN1 7/4885
US-20050119332-A1 Substituted thiophene compounds as modulators of protein tyrosine phosphatases (PTPases) PTPRCAP, PTPRS, PTPN1 NOTUM 2790/4885GPR35 1492/4885PTPN1 3/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.