SCHEMBL18003304

SCHEMBL18003304

CC(C)Oc1c(C=O)cccc1-c1ccc(C(F)(F)F)nc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TRPV3 Q8NET8 12/20 0.40
▸ MAP4K4 O95819 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ MINK1 Q8N4C8 1/20 0.38
▸ PI4KB Q9UBF8 1/20 0.38
▸ PDE10A Q9Y233 1/20 0.37
▸ SYK P43405 2/20 0.36
▸ PTGS1 P23219 1/20 0.35
▸ PTGS2 P35354 1/20 0.35

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
SCHEMBL18003302 0.84 KCNH2 (0.39) TRPV3MAP4K4PIK3CAKCNH2MINK1
SCHEMBL18003899 0.76 SYK (0.45) TRPV3MAP4K4PIK3CAKCNH2MINK1
SCHEMBL18003244 0.76 PIK3CA (0.41) TRPV3MAP4K4PIK3CAKCNH2MINK1
SCHEMBL3273244 0.75 CA1 (0.40) PTGS1
SCHEMBL18003590 0.74 PDE10A (0.41) TRPV3MAP4K4PIK3CAKCNH2MINK1
SCHEMBL16399585 0.74 PDE10A (0.41) TRPV3MAP4K4PIK3CAKCNH2MINK1
SCHEMBL18004651 0.71 TRPV3 (0.36) TRPV3PDE10A
SCHEMBL18003239 0.70 SYK (0.40) TRPV3MAP4K4PIK3CAKCNH2MINK1
SCHEMBL15756694 0.67 TRPV4 (0.55) TRPV3MAP4K4PIK3CAKCNH2MINK1
SCHEMBL2365269 0.67 CA1 (0.66) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 — — EP disclosed
US-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 — — US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 — — US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 — — 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-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 TRPV3 3303/4885MAP4K4 956/4885PIK3CA 1483/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 TRPV3 3303/4885MAP4K4 956/4885PIK3CA 1483/4885

“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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