SCHEMBL10003969

SCHEMBL10003969

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.41
▸ PPARG P37231 11/20 0.41
▸ PPARA Q07869 8/20 0.41
▸ PPARD Q03181 8/20 0.41
▸ NOD2 Q9HC29 2/20 0.39
▸ NOD1 Q9Y239 2/20 0.39
▸ MAPT P10636 3/20 0.36
▸ HPGD P15428 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ LMNA P02545 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ SMN1; SMN2 Q16637 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
SCHEMBL10003974 1.00 ALOX5 (0.41) ALOX5PPARGPPARAPPARDNOD2
SCHEMBL10313757 1.00 ALOX5 (0.41) ALOX5PPARGPPARAPPARDNOD2
SCHEMBL10003075 0.87 NOD1 (0.41) ALOX5PPARGPPARAPPARDNOD2
SCHEMBL10003073 0.87 NOD1 (0.41) ALOX5PPARGPPARAPPARDNOD2
SCHEMBL16015319 0.87 NOD1 (0.41) ALOX5PPARGPPARAPPARDNOD2
SCHEMBL10004549 0.86 PPARG (0.48) ALOX5PPARGPPARAPPARDNOD2
SCHEMBL10004551 0.86 PPARG (0.48) ALOX5PPARGPPARAPPARDNOD2
SCHEMBL10003655 0.86 ALOX5 (0.43) ALOX5PPARGPPARAPPARDNOD2
SCHEMBL10003661 0.86 ALOX5 (0.43) ALOX5PPARGPPARAPPARDNOD2
SCHEMBL10002978 0.85 ALOX5 (0.38) ALOX5PPARGPPARDNOD2NOD1

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-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-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-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 ALOX5 2600/4885PPARG 1775/4885PPARA 2323/4885
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, IL4I1, CYP3A43 ALOX5 643/4885PPARG 2257/4885PPARA 3262/4885

“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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