SCHEMBL10003580

SCHEMBL10003580

Cc1ccc(S(=O)(=O)n2c(C(=O)/C(C#N)=C/N(C)C)cc3cc(Br)c(F)cc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.39
▸ NOD2 Q9HC29 3/20 0.37
▸ NOD1 Q9Y239 3/20 0.37
▸ POLB P06746 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HPGD P15428 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ LMNA P02545 3/20 0.32
▸ PTGDR2 Q9Y5Y4 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ HTT P42858 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ PPARG P37231 1/20 0.31
▸ PPARD Q03181 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
SCHEMBL10003582 1.00 ALOX5 (0.39) ALOX5NOD2NOD1POLBCYP2C9
SCHEMBL10003329 0.96 ALOX5 (0.39) ALOX5NOD2NOD1POLBCYP2C9
SCHEMBL10003334 0.96 ALOX5 (0.39) ALOX5NOD2NOD1POLBCYP2C9
SCHEMBL18332013 0.89 ALOX5 (0.41) ALOX5NOD2NOD1NPSR1HPGD
SCHEMBL10002979 0.89 ALOX5 (0.38) ALOX5NOD2NOD1NPSR1HPGD
SCHEMBL10002978 0.89 ALOX5 (0.38) ALOX5NOD2NOD1NPSR1HPGD
SCHEMBL10003065 0.88 ALOX5 (0.38) ALOX5NOD2NOD1NPSR1HPGD
SCHEMBL10003064 0.88 ALOX5 (0.38) ALOX5NOD2NOD1NPSR1HPGD
SCHEMBL18332262 0.86 NOD2 (0.41) ALOX5NOD2NOD1POLBCYP2C9
SCHEMBL18331945 0.86 ALOX5 (0.37) ALOX5NOD2NOD1POLBCYP2C9

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 8 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-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.

Send feedback