SCHEMBL16017278

SCHEMBL16017278

Cc1cc2c(cc1-c1ccc(NC(=O)c3c(C)coc3C(C)C)cc1)OC(F)(F)O2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ STIM1 Q13586 2/20 0.38
▸ ORAI1 Q96D31 2/20 0.38
▸ IL2 P60568 7/20 0.37
▸ ORAI2 Q96SN7 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA2B P29275 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ POLQ O75417 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ PKM P14618 1/20 0.33

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
SCHEMBL16017256 0.92 SCN9A (0.40) SCN9ANPC1RAB9ASTIM1ORAI1
SCHEMBL16017239 0.91 STIM1 (0.44) SCN9ANPC1RAB9ASTIM1ORAI1
SCHEMBL16017274 0.87 NPC1 (0.50) SCN9ANPC1RAB9ASTIM1ORAI1
SCHEMBL16018233 0.87 STIM1 (0.48) SCN9ASTIM1ORAI1IL2ORAI2
SCHEMBL16019810 0.84 CYP1A2 (0.43) SCN9ANPC1RAB9ASTIM1ORAI1
SCHEMBL16017237 0.83 STIM1 (0.44) SCN9ANPC1RAB9ASTIM1ORAI1
SCHEMBL14887768 0.80 TP53 (0.40) SCN9ASTIM1ORAI1IL2ADORA3
SCHEMBL14887381 0.80 IL2 (0.56) SCN9ANPC1RAB9ASTIM1ORAI1
SCHEMBL16017284 0.80 STIM1 (0.40) SCN9ANPC1RAB9ASTIM1ORAI1
SCHEMBL16018182 0.79 STIM1 (0.48) SCN9ASTIM1ORAI1IL2ORAI2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2014-09-11 — — 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 (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-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 SCN9A 235/4885NPC1 262/4885RAB9A 1174/4885

“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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