SCHEMBL16018235

SCHEMBL16018235

Cc1cc2c(cc1-c1ccc(NC(=O)c3occc3C)nc1)OC(F)(F)O2

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 6/20 0.53
▸ ORAI1 Q96D31 6/20 0.53
▸ ORAI2 Q96SN7 1/20 0.43
▸ NAMPT P43490 1/20 0.42
▸ SCN9A Q15858 1/20 0.41
▸ GRM1 Q13255 5/20 0.41
▸ GRM4 Q14833 2/20 0.41
▸ POLQ O75417 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ IL2 P60568 1/20 0.39
▸ ABL1 P00519 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
SCHEMBL16018201 0.91 STIM1 (0.52) STIM1ORAI1ORAI2NAMPTGRM1
SCHEMBL14885688 0.87 STIM1 (0.52) STIM1ORAI1ORAI2SCN9APOLQ
SCHEMBL16018246 0.86 STIM1 (0.56) STIM1ORAI1ORAI2NAMPTGRM1
SCHEMBL16018165 0.86 STIM1 (0.53) STIM1ORAI1ORAI2SCN9APOLQ
SCHEMBL16017210 0.85 MEN1 (0.50) NAMPTSCN9AGRM1GRM4MEN1
SCHEMBL16018189 0.85 STIM1 (0.52) STIM1ORAI1ORAI2SCN9APOLQ
SCHEMBL12241544 0.83 STIM1 (0.54) STIM1ORAI1ORAI2SCN9ANPC1
SCHEMBL12155538 0.83 STIM1 (0.57) STIM1ORAI1ORAI2MEN1NPC1
SCHEMBL16020533 0.83 STIM1 (0.52) STIM1ORAI1ORAI2NAMPTSCN9A
SCHEMBL16018175 0.83 STIM1 (0.52) STIM1ORAI1ORAI2SCN9APOLQ

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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