SCHEMBL10003355

SCHEMBL10003355

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 7/20 0.41
▸ NOD2 Q9HC29 2/20 0.40
▸ NOD1 Q9Y239 2/20 0.40
▸ HSD11B1 P28845 3/20 0.39
▸ ALOX5 P09917 1/20 0.36
▸ SCN9A Q15858 2/20 0.36
▸ PTGDR2 Q9Y5Y4 2/20 0.35
▸ SCN5A Q14524 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ METAP2 P50579 1/20 0.34

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
SCHEMBL10003629 0.89 NOD2 (0.41) NOD2NOD1HSD11B1ALOX5PTGDR2
SCHEMBL10002780 0.87 NOD2 (0.43) NOD2NOD1HSD11B1ALOX5SCN9A
SCHEMBL10004859 0.85 NOD2 (0.46) TRPV1NOD2NOD1HSD11B1ALOX5
SCHEMBL10003877 0.83 TRPV1 (0.38) TRPV1NOD2NOD1HSD11B1ALOX5
SCHEMBL10003874 0.83 TRPV1 (0.38) TRPV1NOD2NOD1HSD11B1ALOX5
SCHEMBL11932281 0.83 TRPV1 (0.38) TRPV1NOD2NOD1HSD11B1ALOX5
SCHEMBL10003478 0.83 NOD1 (0.46) NOD2NOD1HSD11B1ALOX5PTGDR2
SCHEMBL10003680 0.83 NOD2 (0.38) NOD2NOD1ALOX5SCN9AALDH1A1
SCHEMBL10003846 0.82 NOD2 (0.41) NOD2NOD1ALOX5SCN9AALDH1A1
SCHEMBL10003270 0.81 NOD2 (0.38) NOD2NOD1ALOX5SCN9AALDH1A1

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 TRPV1 1030/4885NOD2 2641/4885NOD1 1738/4885
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, IL4I1, CYP3A43 TRPV1 2925/4885NOD2 2443/4885NOD1 1110/4885

“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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