SCHEMBL10003459

SCHEMBL10003459

Cc1ccc(S(=O)(=O)n2c(C(=O)CC#N)cc3cc(C(F)(F)F)ccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 12/20 0.46
▸ PPARA Q07869 9/20 0.46
▸ PPARD Q03181 8/20 0.46
▸ NOD2 Q9HC29 3/20 0.45
▸ NOD1 Q9Y239 3/20 0.45
▸ ALOX5 P09917 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ PTGDR2 Q9Y5Y4 1/20 0.37
▸ MAPT P10636 1/20 0.36

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
SCHEMBL12908808 0.86 PPARG (0.48) PPARGPPARAPPARDNOD2NOD1
SCHEMBL10002994 0.85 NOD1 (0.48) PPARGPPARAPPARDNOD2NOD1
SCHEMBL10003058 0.84 NOD2 (0.47) PPARGPPARAPPARDNOD2NOD1
SCHEMBL10003854 0.84 PPARG (0.56) PPARGPPARAPPARDNOD2NOD1
SCHEMBL10003607 0.83 NOD2 (0.41) PPARGPPARAPPARDNOD2NOD1
SCHEMBL16792477 0.83 NOD1 (0.65) PPARGPPARANOD2NOD1ALOX5
SCHEMBL10004054 0.82 NOD1 (0.51) PPARGPPARAPPARDNOD2NOD1
SCHEMBL10003270 0.81 NOD2 (0.38) PPARGNOD2NOD1ALOX5ALDH1A1
SCHEMBL10003680 0.81 NOD2 (0.38) PPARGNOD2NOD1ALOX5ALDH1A1
SCHEMBL10003474 0.81 NOD1 (0.46) PPARGPPARAPPARDNOD2NOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2471786-B1 AMINOPYRAZOLE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2015-11-04 — — EP disclosed
US-9102692-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-08-11 — — US disclosed
US-9102692-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-08-11 — — US disclosed
US-9102692-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-08-11 — — US disclosed
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE F. HOFFMANN-LA ROCHE AG (CH) 2014-10-23 — — US disclosed
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE F. HOFFMANN-LA ROCHE AG (CH) 2014-10-23 — — US disclosed
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE F. HOFFMANN-LA ROCHE AG (CH) 2014-10-23 — — US disclosed
US-8829199-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2014-09-09 — — US disclosed
US-8829199-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2014-09-09 — — US disclosed
US-8829199-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2014-09-09 — — US disclosed
US-20120208811-A1 Aminopyrazole Derivative F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 — — US disclosed
US-20120208811-A1 Aminopyrazole Derivative F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 — — US disclosed
US-20120208811-A1 Aminopyrazole Derivative F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 — — US disclosed
EP-2471786-A1 AMINOPYRAZOLE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2012-07-04 — — EP 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 (2 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-20120208811-A1 Aminopyrazole Derivative FGFR1, FGFR3, FGFR4 PPARG 1775/4885PPARA 2323/4885PPARD 2256/4885
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, IL4I1, CYP3A43 PPARG 2257/4885PPARA 3262/4885PPARD 3399/4885

“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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