SCHEMBL16018246

SCHEMBL16018246

Cc1cc2c(cc1-c1cnc(NC(=O)c3occc3C)cn1)OC(F)(F)O2

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 3/20 0.56
▸ ORAI1 Q96D31 3/20 0.56
▸ ORAI2 Q96SN7 1/20 0.56
▸ NAMPT P43490 1/20 0.41
▸ GRM1 Q13255 4/20 0.41
▸ GRM4 Q14833 2/20 0.41
▸ IL2 P60568 8/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KDR P35968 1/20 0.38

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
SCHEMBL16018232 0.91 STIM1 (0.69) STIM1ORAI1ORAI2NAMPTGRM1
SCHEMBL16020560 0.86 STIM1 (0.53) STIM1ORAI1ORAI2IL2NPC1
SCHEMBL16018235 0.86 STIM1 (0.53) STIM1ORAI1ORAI2NAMPTGRM1
SCHEMBL16018187 0.85 STIM1 (0.54) STIM1ORAI1ORAI2IL2
SCHEMBL16018169 0.84 STIM1 (0.53) STIM1ORAI1ORAI2IL2MEN1
SCHEMBL16572267 0.84 STIM1 (0.57) STIM1ORAI1ORAI2IL2NPC1
SCHEMBL12155639 0.84 STIM1 (0.60) STIM1ORAI1ORAI2IL2MEN1
SCHEMBL12156041 0.83 STIM1 (0.61) STIM1ORAI1ORAI2IL2NPC1
SCHEMBL14885568 0.82 STIM1 (0.55) STIM1ORAI1ORAI2NAMPTGRM1
SCHEMBL16018231 0.82 STIM1 (0.58) STIM1ORAI1ORAI2IL2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856240-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2018-01-02 — — US disclosed
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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