SCHEMBL767432

SCHEMBL767432

Cc1cc2c(cc1-c1cnc(NC(=O)c3c(F)cccc3F)[se]1)OC(F)(F)O2

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 5/20 0.56
▸ ORAI1 Q96D31 5/20 0.56
▸ ORAI2 Q96SN7 1/20 0.56
▸ IL2 P60568 9/20 0.39
▸ SCN9A Q15858 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ TRPA1 O75762 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
SCHEMBL766985 0.89 STIM1 (0.47) STIM1ORAI1ORAI2SCN9AGAA
SCHEMBL1701956 0.81 STIM1 (0.66) STIM1ORAI1ORAI2IL2SCN9A
SCHEMBL1702182 0.80 STIM1 (0.77) STIM1ORAI1ORAI2IL2
SCHEMBL10201325 0.80 STIM1 (0.58) STIM1ORAI1ORAI2IL2GAA
SCHEMBL29642101 0.79 STIM1 (0.65) STIM1ORAI1ORAI2IL2GAA
SCHEMBL14150380 0.79 STIM1 (0.59) STIM1ORAI1ORAI2IL2
SCHEMBL10201079 0.79 STIM1 (0.65) STIM1ORAI1ORAI2IL2GAA
SCHEMBL14887381 0.77 IL2 (0.56) STIM1ORAI1ORAI2IL2SCN9A
SCHEMBL18081993 0.76 STIM1 (0.84) STIM1ORAI1ORAI2IL2
SCHEMBL14881425 0.76 STIM1 (0.51) STIM1ORAI1ORAI2IL2TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2619200-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM Calcimedica, Inc. (US) 2013-07-31 — — EP disclosed
WO-2012040511-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-03-29 — — WO disclosed
US-20120071516-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-03-22 — — 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-20120071516-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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