SCHEMBL14239590

SCHEMBL14239590

Cc1cc(OC(F)(F)F)ccc1-c1cnc(NCc2c(F)cccc2F)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 4/20 0.40
▸ ORAI1 Q96D31 4/20 0.40
▸ CYP1A2 P05177 3/20 0.40
▸ LIMK1 P53667 2/20 0.38
▸ MAPK14 Q16539 3/20 0.38
▸ FFAR4 Q5NUL3 1/20 0.38
▸ ALOX5AP P20292 1/20 0.37
▸ FEN1 P39748 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ LIMK2 P53671 1/20 0.35
▸ SCN8A Q9UQD0 1/20 0.35
▸ CTSA P10619 1/20 0.35
▸ CSNK2A2 P19784 1/20 0.35
▸ CSNK2A1 P68400 1/20 0.35
▸ POLQ O75417 1/20 0.35

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
SCHEMBL14239589 0.89 CSNK2A2 (0.42) CYP1A2LIMK1MAPK14FFAR4ALOX5AP
SCHEMBL14999204 0.84 KDM4E (0.49) STIM1ORAI1LIMK1MAPK14KDM4E
SCHEMBL14239143 0.82 ESR2 (0.46) STIM1ORAI1LIMK1MAPK14KDM4E
SCHEMBL14999202 0.78 TP53 (0.44) STIM1ORAI1LIMK1MAPK14KDM4E
SCHEMBL15003811 0.76 STIM1 (0.41) STIM1ORAI1LIMK1MAPK14MEN1
SCHEMBL14240001 0.75 STIM1 (0.66) STIM1ORAI1LIMK1MAPK14KDM4E
SCHEMBL14999205 0.72 MAPT (0.46) STIM1ORAI1CYP1A2LIMK1MAPK14
SCHEMBL14239144 0.70 ESR2 (0.45) STIM1ORAI1LIMK1MAPK14KDM4E
SCHEMBL14240442 0.70 ALOX5AP (0.34) STIM1ORAI1LIMK1MAPK14ALOX5AP
SCHEMBL14999200 0.69 STIM1 (0.47) STIM1ORAI1MAPK14

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-20130143927-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-06-06 — — US disclosed
WO-2012170951-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-12-13 — — 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-20130143927-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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