SCHEMBL11905363

SCHEMBL11905363

Cc1ccc(S(=O)(=O)n2c(C(=O)C(C#N)=CN(C)C)cc3cc(OCC4CC4)ccc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.40
▸ NOD2 Q9HC29 2/20 0.39
▸ NOD1 Q9Y239 2/20 0.39
▸ PSEN1 P49768 1/20 0.35
▸ PSEN2 P49810 1/20 0.35
▸ APH1B Q8WW43 1/20 0.35
▸ NCSTN Q92542 1/20 0.35
▸ APH1A Q96BI3 1/20 0.35
▸ PSENEN Q9NZ42 1/20 0.35
▸ CD4 P01730 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ HTR6 P50406 2/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ HPGD P15428 3/20 0.35
▸ MAPT P10636 2/20 0.34
▸ RECQL P46063 1/20 0.34
▸ ITGB3 P05106 1/20 0.34
▸ ITGA2B P08514 1/20 0.34
▸ PPARG P37231 1/20 0.33
▸ PPARD Q03181 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
SCHEMBL11905362 1.00 ALOX5 (0.40) ALOX5NOD2NOD1PSEN1PSEN2
SCHEMBL10003120 0.88 NOD2 (0.43) ALOX5NOD2NOD1PSEN1PSEN2
SCHEMBL10003121 0.88 NOD2 (0.43) ALOX5NOD2NOD1PSEN1PSEN2
SCHEMBL10003704 0.87 NOD2 (0.40) ALOX5NOD2NOD1PSEN1PSEN2
SCHEMBL11931131 0.87 NOD2 (0.40) ALOX5NOD2NOD1PSEN1PSEN2
SCHEMBL10003702 0.87 NOD2 (0.40) ALOX5NOD2NOD1PSEN1PSEN2
SCHEMBL10002690 0.87 ALOX5 (0.38) ALOX5NOD2NOD1HPGDPPARG
SCHEMBL10002691 0.87 ALOX5 (0.38) ALOX5NOD2NOD1HPGDPPARG
SCHEMBL16015320 0.85 ALOX5 (0.41) ALOX5NOD2NOD1PSEN1PSEN2
SCHEMBL10003639 0.85 ALOX5 (0.41) ALOX5NOD2NOD1PSEN1PSEN2

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 9 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-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-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

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 2600/4885NOD2 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 ALOX5 643/4885NOD2 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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