SCHEMBL16019806

SCHEMBL16019806

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.43
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ FLT1 P17948 3/20 0.40
▸ KDR P35968 2/20 0.40
▸ F2 P00734 1/20 0.40
▸ F10 P00742 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ GFER P55789 1/20 0.39
▸ CRACR2A Q9BSW2 1/20 0.39
▸ SCN9A Q15858 1/20 0.39
▸ STIM1 Q13586 1/20 0.39
▸ ORAI1 Q96D31 1/20 0.39
▸ IL2 P60568 2/20 0.38
▸ TAS2R8 Q9NYW2 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.37
▸ ADORA2A P29274 1/20 0.37

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
SCHEMBL14887769 0.90 STIM1 (0.43) RXFP1CYP1A2CYP2C9FLT1KDR
SCHEMBL14881326 0.88 GFER (0.52) CYP1A2CYP2C9NPC1GAARAB9A
SCHEMBL14887766 0.84 CYP1A2 (0.43) CYP1A2CYP2C9NPC1GAARAB9A
SCHEMBL16019810 0.84 CYP1A2 (0.43) CYP1A2CYP2C9FLT1KDRNPC1
SCHEMBL16020543 0.81 STIM1 (0.54) RXFP1STIM1ORAI1IL2
SCHEMBL16019793 0.80 DGAT1 (0.49) SCN9ASTIM1ORAI1
SCHEMBL14885665 0.79 STIM1 (0.50) RXFP1CYP2C9FLT1NPC1RAB9A
SCHEMBL14887333 0.79 STIM1 (0.48) SCN9ASTIM1ORAI1IL2
SCHEMBL16019818 0.78 CYP1A2 (0.46) CYP1A2CYP2C9NPC1GAARAB9A
SCHEMBL14887768 0.78 TP53 (0.40) SMN1; SMN2GFERSCN9ASTIM1ORAI1

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 1 patent. 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

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 RXFP1 2109/4885CYP1A2 4570/4885CYP2C9 4656/4885

“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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