SCHEMBL11932281

SCHEMBL11932281

Cc1ccc(S(=O)(=O)n2c(C(=O)C(C#N)=CN(C)C)cc3ccc(-c4ncccc4C(F)(F)F)cc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 7/20 0.38
▸ ALOX5 P09917 1/20 0.37
▸ HSD11B1 P28845 2/20 0.36
▸ NOD2 Q9HC29 1/20 0.35
▸ NOD1 Q9Y239 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ SCN9A Q15858 2/20 0.33
▸ SCN5A Q14524 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ PDK1 Q15118 2/20 0.32
▸ PDK2 Q15119 2/20 0.32
▸ PDK3 Q15120 2/20 0.32
▸ PDK4 Q16654 2/20 0.32
▸ PTGDR2 Q9Y5Y4 1/20 0.32

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
SCHEMBL10003874 1.00 TRPV1 (0.38) TRPV1ALOX5HSD11B1NOD2NOD1
SCHEMBL10003877 1.00 TRPV1 (0.38) TRPV1ALOX5HSD11B1NOD2NOD1
SCHEMBL10002827 0.90 POLB (0.40) ALOX5HSD11B1NOD2NOD1ALDH1A1
SCHEMBL16188511 0.90 POLB (0.40) ALOX5HSD11B1NOD2NOD1ALDH1A1
SCHEMBL10002826 0.90 POLB (0.40) ALOX5HSD11B1NOD2NOD1ALDH1A1
SCHEMBL10002888 0.89 ALOX5 (0.39) ALOX5HSD11B1NOD2NOD1ALDH1A1
SCHEMBL10002889 0.89 ALOX5 (0.39) ALOX5HSD11B1NOD2NOD1ALDH1A1
SCHEMBL10003739 0.84 ALOX5 (0.42) ALOX5NOD2NOD1ALDH1A1POLB
SCHEMBL11931055 0.84 ALOX5 (0.42) ALOX5NOD2NOD1ALDH1A1POLB
SCHEMBL10003737 0.84 ALOX5 (0.42) ALOX5NOD2NOD1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 TRPV1 1030/4885ALOX5 2600/4885HSD11B1 1369/4885
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, IL4I1, CYP3A43 TRPV1 2925/4885ALOX5 643/4885HSD11B1 204/4885

“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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