SCHEMBL18003271

SCHEMBL18003271

O=Cc1cccc(-c2cc3ccc(C(F)(F)F)cc3s2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.44
ESR2 Q92731 6/20 0.44
HDAC6 Q9UBN7 2/20 0.44
ERN1 O75460 2/20 0.39
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
TRIM24 O15164 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
EPHX2 P34913 1/20 0.35
SCN4A P35499 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
EGFR P00533 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
SCHEMBL18003408 0.89 HDAC6 (0.53) ESR1ESR2HDAC6ERN1HSD17B1
SCHEMBL5937446 0.80 ERN1 (0.58) ESR1ESR2ERN1HSD17B1HSD17B2
SCHEMBL18003262 0.79 PRF1 (0.47) HDAC6HSD17B1HSD17B2TRIM24TRIM33
SCHEMBL12885297 0.77 ALDH1A1 (0.45) ESR1ESR2HDAC6ERN1CA2
SCHEMBL18003000 0.76 EPHX2 (0.37) ESR1ESR2HDAC6ERN1EPHX2
SCHEMBL18002074 0.76 ERN1 (0.51) HDAC6ERN1HSD17B1HSD17B2CA12
SCHEMBL18002758 0.75 ERN1 (0.41) ESR1ESR2HDAC6ERN1HSD17B1
SCHEMBL1427373 0.75 TRIM24 (0.56) TRIM24TRIM33CA12CA1CA2
SCHEMBL18003059 0.74 HDAC6 (0.48) HDAC6ERN1HSD17B1HSD17B2TRIM24
SCHEMBL2948106 0.74 S1PR1 (0.52) ESR1ESR2ERN1

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 ESR1 3520/4885ESR2 3395/4885HDAC6 1149/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 ESR1 3520/4885ESR2 3395/4885HDAC6 1149/4885

“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.