SCHEMBL16020534

SCHEMBL16020534

Cc1cc2c(cc1-c1cnc(NC(=O)c3noc(C)c3C)cn1)OC(F)(F)O2

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 3/20 0.52
▸ ORAI1 Q96D31 3/20 0.52
▸ ORAI2 Q96SN7 1/20 0.52
▸ POLQ O75417 1/20 0.37
▸ IL2 P60568 12/20 0.36
▸ TAS2R8 Q9NYW2 1/20 0.35
▸ SCN9A Q15858 1/20 0.34
▸ HDAC4 P56524 1/20 0.33
▸ HDAC6 Q9UBN7 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
SCHEMBL14881328 0.90 STIM1 (0.62) STIM1ORAI1ORAI2POLQIL2
SCHEMBL14881320 0.86 STIM1 (0.57) STIM1ORAI1ORAI2IL2TAS2R8
SCHEMBL14885568 0.84 STIM1 (0.55) STIM1ORAI1ORAI2POLQIL2
SCHEMBL14885578 0.84 STIM1 (0.52) STIM1ORAI1ORAI2POLQIL2
SCHEMBL14885643 0.82 STIM1 (0.53) STIM1ORAI1ORAI2POLQIL2
SCHEMBL16018190 0.82 STIM1 (0.54) STIM1ORAI1ORAI2IL2TAS2R8
SCHEMBL16020542 0.82 STIM1 (0.54) STIM1ORAI1ORAI2
SCHEMBL16018246 0.81 STIM1 (0.56) STIM1ORAI1ORAI2IL2
SCHEMBL16018187 0.81 STIM1 (0.54) STIM1ORAI1ORAI2POLQIL2
SCHEMBL16018231 0.80 STIM1 (0.58) STIM1ORAI1ORAI2POLQIL2

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-20140256745-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 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-20140256745-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885ORAI2 19/4885

“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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