SCHEMBL3157429

SCHEMBL3157429

CCc1cc(-c2ccc(S(C)(=O)=O)cc2)[nH]c(=O)c1C#N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.48
ALDH1A1 P00352 7/20 0.48
RXFP1 Q9HBX9 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
GAA P10253 7/20 0.47
GLA P06280 6/20 0.45
KMT2A Q03164 5/20 0.45
HPGD P15428 4/20 0.45
HTT P42858 3/20 0.45
MEN1 O00255 3/20 0.45
ATM Q13315 2/20 0.45
LMNA P02545 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
MAPT P10636 4/20 0.43
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42

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
SCHEMBL3166080 0.81 KDM4E (0.41) KDM4EALDH1A1GAAHPGDPTGS2
SCHEMBL14002226 0.75 KDM4E (0.47) KDM4EALDH1A1RXFP1SMN1; SMN2NPSR1
SCHEMBL3171751 0.71 PTGS2 (0.43) PTGS2
SCHEMBL29264861 0.70 KDM4E (0.59) KDM4EALDH1A1RXFP1SMN1; SMN2NPSR1
SCHEMBL11004018 0.70 PDE3A (0.67) KDM4EALDH1A1GAAKMT2AHPGD
SCHEMBL2587537 0.69 KDM4E (0.71) KDM4EALDH1A1SMN1; SMN2GAAGLA
SCHEMBL11051645 0.69 ALDH1A1 (0.59) KDM4EALDH1A1SMN1; SMN2GAAGLA
SCHEMBL3566704 0.68 KDM4E (0.73) KDM4EALDH1A1RXFP1SMN1; SMN2NPSR1
SCHEMBL16561953 0.67 KDM4E (0.49) KDM4EALDH1A1SMN1; SMN2GAAGLA
SCHEMBL10590930 0.67 PTGS2 (0.57) PTGS2

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
EP-1546107-B1 COX-2 INHIBITING PYRIDINE DERIVATIVES GLAXO GROUP LTD (GB) 2010-03-31 EP disclosed
EP-1546107-B1 COX-2 INHIBITING PYRIDINE DERIVATIVES GLAXO GROUP LTD (GB) 2010-03-31 EP disclosed
US-7446117-B2 Cox-2 inhibiting pyridine derivatives GLAXO GROUP LIMITED (GB) 2008-11-04 US disclosed
US-7446117-B2 Cox-2 inhibiting pyridine derivatives GLAXO GROUP LIMITED (GB) 2008-11-04 US disclosed
US-20060040988-A1 Cox-2 Inhibiting pyridine derivatives GLAXO GROUP LIMITED (GB) 2006-02-23 US disclosed
CN-1681788-A COX-2 inhibiting pyridine derivatives GLAXO GROUP LTD (GB) 2005-10-12 CN 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 (1 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-20060040988-A1 Cox-2 Inhibiting pyridine derivatives PTGS2, PTGES2, PTGS1 KDM4E 2904/4885ALDH1A1 557/4885RXFP1 2195/4885

“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.