SCHEMBL18003239

SCHEMBL18003239

CC(C)Oc1cc(C=O)cc(-c2ccc(C(F)(F)F)nc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 3/20 0.40
▸ ALDH1A3 P47895 1/20 0.40
▸ PTGS1 P23219 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ FFAR4 Q5NUL3 1/20 0.36
▸ PIK3CA P42336 2/20 0.36
▸ PI4KB Q9UBF8 2/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ MINK1 Q8N4C8 1/20 0.36
▸ XIAP P98170 1/20 0.36
▸ BIRC2 Q13490 1/20 0.36
▸ PIK3CD O00329 1/20 0.35
▸ PIK3CB P42338 1/20 0.35
▸ PI4KA P42356 1/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.35
▸ TRPV3 Q8NET8 3/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ AURKB Q96GD4 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
SCHEMBL18003162 0.84 RXRA (0.41) SYKPTGS1PTGS2PIK3CAPI4KB
SCHEMBL16399058 0.79 PIK3CA (0.40) PIK3CAPI4KBMAP4K4KCNH2MINK1
SCHEMBL16398547 0.79 PTGS1 (0.41) SYKPTGS1PIK3CAPI4KBPIK3CD
SCHEMBL18002723 0.79 IDH1 (0.39) SYKALDH1A3PTGS1PTGS2TRPV3
SCHEMBL18003883 0.78 PTGS1 (0.40) SYKPTGS1PIK3CAPI4KBPIK3CD
SCHEMBL18003590 0.77 PDE10A (0.41) SYKALDH1A3PTGS1PTGS2PIK3CA
SCHEMBL16399585 0.77 PDE10A (0.41) SYKALDH1A3PTGS1PTGS2PIK3CA
SCHEMBL18003222 0.77 KCNH2 (0.39) PIK3CAPI4KBMAP4K4KCNH2MINK1
SCHEMBL18003722 0.77 PIK3CA (0.38) SYKPIK3CAPI4KBMAP4K4KCNH2
SCHEMBL18003888 0.77 SCN9A (0.37) SYKPTGS1KCNH2P2RX3P2RX2

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 SYK 1915/4885ALDH1A3 2589/4885PTGS1 2094/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 SYK 1915/4885ALDH1A3 2589/4885PTGS1 2094/4885

“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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