SCHEMBL17610643

SCHEMBL17610643

COc1cc(CO)cc(F)c1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
TSHR P16473 2/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
TAAR1 Q96RJ0 2/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
TUBB1 Q9H4B7 2/20 0.37
TNKS2 Q9H2K2 1/20 0.37
LMNA P02545 1/20 0.37
GLA P06280 1/20 0.37
TRPV3 Q8NET8 1/20 0.36

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
SCHEMBL22817375 0.82 CYP4F2 (0.41) CYP4F2CYP4A11TSHRALOX15HSD17B10
SCHEMBL7283121 0.82 HTR2A (0.48) CYP4F2CYP4A11TSHRALOX15HSD17B10
SCHEMBL27161330 0.82 HTR2A (0.38) TSHRTAAR1MAPK1HTR2AHTR2C
SCHEMBL13226752 0.82 PTGS2 (0.57) TSHRTAAR1MAPK1HTR2AHTR2C
SCHEMBL13548301 0.78 ALDH1A1 (0.46) TSHRTAAR1MAPK1HTR2AHTR2C
SCHEMBL2303307 0.78 GAA (0.54) TSHRALOX15HSD17B10MAPK1LMNA
SCHEMBL391375 0.78 ACHE (0.46) CYP4F2CYP4A11TSHRP2RX7
SCHEMBL13547936 0.77 CACNA1H (0.37) HTR2AHTR2CHTR2BTUBB1
SCHEMBL3764427 0.77 MAPT (0.50) CYP4F2CYP4A11TSHRALOX15HSD17B10
SCHEMBL21596827 0.77 CACNA1H (0.41) CYP4F2CYP4A11TSHRALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107074822-B Triazole compounds as T-type calcium channel blockers 爱杜西亚药品有限公司 2020-01-03 CN disclosed
US-10246426-B2 Triazole compounds as T-type calcium channel blockers IDORSIA PHARMACEUTICALS LTD (CH) 2019-04-02 US disclosed
EP-3194374-B1 TRIAZOLE COMPOUNDS AS T-TYPE CALCIUM CHANNEL BLOCKERS IDORSIA PHARMACEUTICALS LTD (CH) 2018-08-01 EP disclosed
CN-107074822-A It is used as the triazole compounds of T-shaped calcium channel blocker 埃科特莱茵药品有限公司 2017-08-18 CN disclosed
EP-3194374-A1 TRIAZOLE COMPOUNDS AS T-TYPE CALCIUM CHANNEL BLOCKERS Idorsia Pharmaceuticals Ltd (CH) 2017-07-26 EP disclosed
WO-2016041892-A1 TRIAZOLE COMPOUNDS AS T-TYPE CALCIUM CHANNEL BLOCKERS ACTELION PHARMACEUTICALS LTD (CH) 2016-03-24 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 (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-10246426-B2 Triazole compounds as T-type calcium channel blockers CACNA1I, CACNA1E, CACNA1G CYP4F2 1106/4885CYP4A11 792/4885TSHR 483/4885

“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.