SCHEMBL18974403

SCHEMBL18974403

CS(=O)(=O)NC(=O)c1nc(N(Cc2ccc(OC(F)(F)F)cc2)c2ccc(C#N)cc2)sc1Cl

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 1/20 0.42
▸ GCGR P47871 7/20 0.42
▸ GIPR P48546 4/20 0.42
▸ SCN9A Q15858 4/20 0.39
▸ CACNA1B Q00975 2/20 0.36
▸ CACNA1H O95180 1/20 0.36
▸ TRPM8 Q7Z2W7 2/20 0.35
▸ ITK Q08881 1/20 0.35
▸ CCR5 P51681 1/20 0.34
▸ STS P08842 1/20 0.34
▸ CYP19A1 P11511 1/20 0.34
▸ SCN7A Q01118 1/20 0.34
▸ SCN5A Q14524 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
SCHEMBL18974602 0.91 PTGDR2 (0.42) PTGDR2GCGRGIPRSCN9ACACNA1B
SCHEMBL18974385 0.91 CNR1 (0.38) SCN9ATRPM8CCR5STSCYP19A1
SCHEMBL18974618 0.90 PTGDR2 (0.42) PTGDR2GCGRGIPRSCN9ACACNA1B
SCHEMBL18974390 0.90 SCN9A (0.41) SCN9ASTSCYP19A1
SCHEMBL18974397 0.89 GCGR (0.40) GCGRGIPRSCN9A
SCHEMBL18974407 0.89 SCN9A (0.39) GCGRGIPRSCN9ACACNA1BCACNA1H
SCHEMBL18974387 0.88 NSD2 (0.40) PTGDR2SCN9A
SCHEMBL18974389 0.88 POLB (0.40) GCGRGIPRSCN9A
SCHEMBL18974402 0.87 SCN9A (0.37) SCN9A
SCHEMBL18974513 0.86 NR3C2 (0.39) PTGDR2SCN9ACCR5

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-3388425-B1 AMINOAZOLE DERIVATIVE TEIJIN PHARMA LTD (JP) 2020-08-05 — — EP disclosed
EP-3388425-B1 AMINOAZOLE DERIVATIVE TEIJIN PHARMA LTD (JP) 2020-08-05 — — EP disclosed
US-10689354-B2 Aminoazole derivative TEIJIN PHARMA LIMITED (JP) 2020-06-23 — — US disclosed
US-10689354-B2 Aminoazole derivative TEIJIN PHARMA LIMITED (JP) 2020-06-23 — — US disclosed
US-20190031628-A1 AMINOAZOLE DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2019-01-31 — — US disclosed
US-20190031628-A1 AMINOAZOLE DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2019-01-31 — — US disclosed
EP-3388425-A1 AMINOAZOLE DERIVATIVE Teijin Pharma Limited (JP) 2018-10-17 — — EP disclosed
WO-2017099237-A1 AMINOAZOLE DERIVATIVE 帝人ファーマ株式会社 2017-06-15 — — WO 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-10689354-B2 Aminoazole derivative AR, NR3C2, NR5A1 PTGDR2 1554/4885GCGR 119/4885GIPR 560/4885
US-20190031628-A1 AMINOAZOLE DERIVATIVE AR, NR3C2, NR5A1 PTGDR2 1554/4885GCGR 119/4885GIPR 560/4885

“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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