SCHEMBL14879532

SCHEMBL14879532

Cn1nc(C(F)(F)F)cc1-c1c(F)cc(NCc2ccccc2F)cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 1/20 0.48
▸ ORAI1 Q96D31 1/20 0.48
▸ CYP1A2 P05177 2/20 0.48
▸ CYP2C9 P11712 2/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ HPGD P15428 1/20 0.48
▸ PDE5A O76074 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ ATM Q13315 1/20 0.40
▸ PLA2G1B P04054 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ ATG4B Q9Y4P1 1/20 0.40
▸ GAA P10253 2/20 0.40
▸ TP53 P04637 2/20 0.40
▸ POLB P06746 1/20 0.40

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
SCHEMBL14879559 0.88 STIM1 (0.46) STIM1ORAI1ALDH1A1GAATRPV3
SCHEMBL14879535 0.87 STIM1 (0.63) STIM1ORAI1ALDH1A1MAPTGAA
SCHEMBL14887646 0.86 STIM1 (0.42) STIM1ORAI1CYP1A2CYP2C9CYP2C19
SCHEMBL14882342 0.86 STIM1 (0.47) STIM1ORAI1CYP1A2CYP2C9CYP2C19
SCHEMBL14887779 0.86 STIM1 (0.56) STIM1ORAI1CYP1A2CYP2C9CYP2C19
SCHEMBL14150202 0.81 STIM1 (0.61) STIM1ORAI1PDE5AMAPTGAA
SCHEMBL14887557 0.80 GAA (0.42) STIM1ORAI1CYP1A2CYP2C9CYP2C19
SCHEMBL14879538 0.80 STIM1 (0.54) STIM1ORAI1L3MBTL1PDE5AGAA
SCHEMBL14158980 0.79 STIM1 (0.54) STIM1ORAI1ALDH1A1MEN1KMT2A
SCHEMBL14881355 0.78 STIM1 (0.45) STIM1ORAI1CYP1A2CYP2C9CYP2C19

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 6 patents. 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
US-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2014-09-11 — — US disclosed
US-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2014-09-11 — — US disclosed
EP-2768810-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM Calcimedica, Inc. (US) 2014-08-27 — — EP disclosed
WO-2013059666-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-04-25 — — WO disclosed
WO-2013059666-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-04-25 — — WO 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 STIM1 17/4885ORAI1 1/4885CYP1A2 4570/4885

“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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