SCHEMBL6312422

SCHEMBL6312422

COC(=O)C(=O)Nc1c[nH]c(C)c1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.49
HTT P42858 1/20 0.44
GPR35 Q9HC97 5/20 0.38
PTPRC P08575 1/20 0.34
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPRB P23467 1/20 0.34
PTPRE P23469 1/20 0.34
PTPN6 P29350 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
CSNK2A2 P19784 1/20 0.32
KDR P35968 1/20 0.32
PLK1 P53350 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32
ALDH1A1 P00352 2/20 0.31
AKR1B1 P15121 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL6310639 0.85 NOTUM (0.53) NOTUMHTTGPR35PTPRCPTPN2
SCHEMBL27558459 0.83 NOTUM (0.52) NOTUMHTTGPR35PTPRCPTPN2
SCHEMBL6311447 0.81 HTT (0.40) NOTUMHTTGPR35SMN1; SMN2LMNA
SCHEMBL9199991 0.70 HTT (0.54) NOTUMHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL9200462 0.67 HTT (0.61) HTTPTPN1SMN1; SMN2LMNAALDH1A1
SCHEMBL9200628 0.67 HTT (0.54) HTTSMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL1082810 0.67 NOTUM (1.00) NOTUMHTTGPR35SMN1; SMN2LMNA
SCHEMBL9205844 0.66 HTT (0.49) HTTSMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL9203282 0.66 ALOX15 (0.52) HTTSMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL9200259 0.66 HTT (0.49) HTTSMN1; SMN2LMNAALDH1A1KDM4E

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-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
CN-1300279-A Modulators of protein tyrosine phosphatases NOVO NORDISK AS (DK) 2001-06-20 CN 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

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 3014/4885HTT 563/4885GPR35 1740/4885
US-20020002199-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) PTPRCAP, PTPRS, PTPRA NOTUM 3002/4885HTT 511/4885GPR35 1716/4885
US-20050119332-A1 Substituted thiophene compounds as modulators of protein tyrosine phosphatases (PTPases) PTPRCAP, PTPRS, PTPN1 NOTUM 2790/4885HTT 734/4885GPR35 1492/4885

“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.