SCHEMBL3166548

SCHEMBL3166548

CCc1cc(-c2ccc(S(C)(=O)=O)cc2)nc(OS(=O)(=O)C(F)(F)F)c1C#N

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 14/20 0.43
▸ PTGS1 P23219 10/20 0.43
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ PAX8 Q06710 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
SCHEMBL14002236 0.83 SQOR (0.37) KDM4EALDH1A1HPGDKMT2ANPSR1
SCHEMBL3152604 0.76 SQOR (0.43) PTGS2PTGS1KDM4EALDH1A1HPGD
SCHEMBL27627986 0.75 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL3166621 0.75 POLB (0.44) PTGS2PTGS1KDM4E
SCHEMBL14002197 0.70 PTGS1 (0.50) PTGS2PTGS1
SCHEMBL2201824 0.69 SQOR (0.56) KDM4EALDH1A1HPGDKMT2ANPSR1
SCHEMBL2816528 0.67 SQOR (0.55) KDM4EALDH1A1HPGDKMT2ANPSR1
SCHEMBL2202897 0.67 SQOR (0.49) KDM4EALDH1A1HPGDKMT2ANPSR1
SCHEMBL3166452 0.67 JAK2 (0.46) PTGS2PTGS1KDM4EALDH1A1HPGD
SCHEMBL2820387 0.67 ALDH1A1 (0.48) KDM4EALDH1A1HPGDKMT2ANPSR1

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 3 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
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

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 PTGS2 1/4885PTGS1 3/4885KDM4E 2904/4885

“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.

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