SCHEMBL20584087

SCHEMBL20584087

Cc1ccc(S(=O)(=O)n2c(C(=O)CC#N)cc3cc(C)c(C4CCN(S(=O)(=O)C5CC5)CC4)cc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ ALOX5 P09917 1/20 0.37
▸ NOD2 Q9HC29 1/20 0.37
▸ NOD1 Q9Y239 1/20 0.37
▸ ALOX12 P18054 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ USP5 P45974 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MAPT P10636 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ CCR6 P51684 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 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
SCHEMBL18332391 0.92 PTGDR2 (0.39) PTGDR2ALOX5NOD2NOD1ALOX12
SCHEMBL18331686 0.89 ALOX5 (0.40) PTGDR2ALOX5NOD2NOD1ALOX12
SCHEMBL18332166 0.88 ALOX5 (0.37) PTGDR2ALOX5NOD2NOD1ALOX12
SCHEMBL18332173 0.84 NOD2 (0.43) PTGDR2ALOX5NOD2NOD1ALOX12
SCHEMBL18332169 0.82 ALOX5 (0.38) PTGDR2ALOX5NOD2NOD1ALOX12
SCHEMBL10003089 0.80 PTGDR2 (0.39) PTGDR2ALOX5NOD2NOD1L3MBTL1
SCHEMBL18332163 0.80 HRH3 (0.41) PTGDR2ALOX5NOD2NOD1L3MBTL1
SCHEMBL10004537 0.78 HRH3 (0.41) PTGDR2ALOX5NOD2NOD1L3MBTL1
SCHEMBL18332156 0.78 NOD1 (0.44) PTGDR2ALOX5NOD2NOD1ALDH1A1
SCHEMBL10002843 0.77 NOD2 (0.44) PTGDR2ALOX5NOD2NOD1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3312172-B1 AMINOPYRAZOLE DERIVATIVES USEFUL AS SRC KINASE INHIBITORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2020-05-06 — — EP disclosed
US-20180362509-A1 AMINOPYRAZOLE DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2018-12-20 — — 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 (1 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-20180362509-A1 AMINOPYRAZOLE DERIVATIVES SRC, GRK2, GRK3 PTGDR2 892/4885ALOX5 3139/4885NOD2 2986/4885

“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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