SCHEMBL10004874

SCHEMBL10004874

Cc1ccc(S(=O)(=O)n2c(C(=O)/C(C#N)=C\N(C)C)cc3ccc(-c4cccc(C(F)(F)F)n4)cc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.39
▸ NOD2 Q9HC29 2/20 0.36
▸ NOD1 Q9Y239 2/20 0.36
▸ GRIN2B Q13224 2/20 0.36
▸ GRIN1 Q05586 1/20 0.36
▸ IRAK4 Q9NWZ3 4/20 0.35
▸ RORC P51449 1/20 0.35
▸ HPGD P15428 3/20 0.32
▸ PTGS2 P35354 2/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ PPARG P37231 1/20 0.31
▸ PTGS1 P23219 2/20 0.31
▸ SDHB P21912 1/20 0.31

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
SCHEMBL11930696 1.00 ALOX5 (0.39) ALOX5NOD2NOD1GRIN2BGRIN1
SCHEMBL10004877 1.00 ALOX5 (0.39) ALOX5NOD2NOD1GRIN2BGRIN1
SCHEMBL11931055 0.86 ALOX5 (0.42) ALOX5NOD2NOD1IRAK4HPGD
SCHEMBL10003739 0.86 ALOX5 (0.42) ALOX5NOD2NOD1IRAK4HPGD
SCHEMBL10003737 0.86 ALOX5 (0.42) ALOX5NOD2NOD1IRAK4HPGD
SCHEMBL10003349 0.86 RORC (0.36) ALOX5NOD2NOD1RORCHPGD
SCHEMBL11931168 0.86 ALOX5 (0.36) ALOX5NOD2NOD1RORCHPGD
SCHEMBL10003761 0.86 ALOX5 (0.36) ALOX5NOD2NOD1RORCHPGD
SCHEMBL10003351 0.86 RORC (0.36) ALOX5NOD2NOD1RORCHPGD
SCHEMBL10003765 0.86 ALOX5 (0.36) ALOX5NOD2NOD1RORCHPGD

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 2600/4885NOD2 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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