SCHEMBL14887768

SCHEMBL14887768

Cc1cc2c(cc1-c1ccc(NC(=O)c3c(C(C)C)noc3C)cc1)OC(F)(F)O2

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ ADORA2B P29275 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ SCN9A Q15858 1/20 0.39
▸ STIM1 Q13586 1/20 0.39
▸ ORAI1 Q96D31 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ GHSR Q92847 1/20 0.38
▸ IL2 P60568 2/20 0.38
▸ TAS2R8 Q9NYW2 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
SCHEMBL16017260 0.90 PTGS2 (0.44) TP53PTGS2STIM1ORAI1SMN1; SMN2
SCHEMBL14885667 0.89 STIM1 (0.48) SCN9ASTIM1ORAI1IL2TAS2R8
SCHEMBL14881326 0.88 GFER (0.52) TP53GFERTAS2R8
SCHEMBL16019818 0.84 CYP1A2 (0.46) SMN1; SMN2GHSR
SCHEMBL16019810 0.84 CYP1A2 (0.43) ADORA3ADORA2AADORA2BADORA1GFER
SCHEMBL14887766 0.82 CYP1A2 (0.43) TP53ADORA3ADORA2AADORA2BADORA1
SCHEMBL16019786 0.82 SCN9A (0.43) TP53ADORA3ADORA2AADORA2BADORA1
SCHEMBL16018190 0.81 STIM1 (0.54) STIM1ORAI1IL2TAS2R8
SCHEMBL16017278 0.80 SCN9A (0.40) ADORA3ADORA2AADORA2BADORA1SCN9A
SCHEMBL16017274 0.79 NPC1 (0.50) ADORA3ADORA2AADORA2BADORA1SCN9A

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
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
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 TP53 2681/4885ADORA3 2617/4885ADORA2A 1775/4885

“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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