SCHEMBL12422184

SCHEMBL12422184

COc1ccc(OC(F)(F)F)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.61
▸ CA1 P00915 1/20 0.61
▸ CA2 P00918 1/20 0.61
▸ CA7 P43166 1/20 0.61
▸ CA9 Q16790 1/20 0.61
▸ CA14 Q9ULX7 1/20 0.61
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ GPR3 P46089 1/20 0.46
▸ GRM7 Q14831 3/20 0.45
▸ ACHE P22303 1/20 0.45
▸ RUNX1 Q01196 1/20 0.45
▸ TUBB4A P04350 1/20 0.44
▸ TUBB P07437 1/20 0.44
▸ TUBA3C P0DPH7 1/20 0.44
▸ TUBA1B P68363 1/20 0.44
▸ TUBA4A P68366 1/20 0.44
▸ TUBB4B P68371 1/20 0.44
▸ TUBB3 Q13509 1/20 0.44

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
SCHEMBL5748457 0.87 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL31193435 0.86 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL30916838 0.86 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL20652692 0.86 KDM4E (0.51) CA12CA1CA2CA7CA9
SCHEMBL13098163 0.85 MCHR1 (0.51) CA12CA1CA2CA7CA9
SCHEMBL8302095 0.84 GPR3 (0.44) CA12CA1CA2CA7CA9
SCHEMBL5158453 0.84 ALDH1A1 (0.46) CA12CA1CA2CA7CA9
SCHEMBL3027958 0.84 GPR3 (0.43) CA12CA1CA2CA7CA9
SCHEMBL12180463 0.84 GPR3 (0.44) CA12CA1CA2CA7CA9
SCHEMBL13968338 0.84 GPR3 (0.44) CA12CA1CA2CA7CA9

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
WO-2020146682-A1 CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-07-16 — — WO disclosed
WO-2019014352-A1 CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-01-17 — — WO disclosed
US-8895313-B2 Ligands for aggregated tau molecules WISTA LABORATORIES LTD. (SG) 2014-11-25 — — US disclosed
US-20110171739-A1 LIGANDS FOR AGGREGATED TAU MOLECULES WISTA LABORATORIES LTD. 2011-07-14 — — 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 (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-20110171739-A1 LIGANDS FOR AGGREGATED TAU MOLECULES MAPT, PRNP, MAP4 CA12 3061/4885CA1 1749/4885CA2 1520/4885

“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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