SCHEMBL16019793

SCHEMBL16019793

Cc1nc(C(=O)Nc2ccc(-c3cc4c(cc3C)OC(F)(F)O4)cc2)c(C(F)(F)F)o1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 11/20 0.49
▸ SCN9A Q15858 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ USP36 Q9P275 1/20 0.40
▸ STIM1 Q13586 1/20 0.39
▸ ORAI1 Q96D31 1/20 0.39

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
SCHEMBL16019798 0.90 DGAT1 (0.46) DGAT1ALDH1A1USP36STIM1ORAI1
SCHEMBL16020572 0.89 STIM1 (0.48) DGAT1SCN9AALDH1A1STIM1ORAI1
SCHEMBL14887339 0.88 BACE1 (0.44) SCN9AALDH1A1STIM1ORAI1
SCHEMBL14887577 0.83 HSD17B10 (0.55) DGAT1SCN9AALDH1A1STIM1ORAI1
SCHEMBL16020561 0.81 STIM1 (0.49) DGAT1ALDH1A1STIM1ORAI1
SCHEMBL16019806 0.80 RXFP1 (0.43) SCN9ASTIM1ORAI1
SCHEMBL14887767 0.80 NAMPT (0.46) SCN9ASTIM1ORAI1
SCHEMBL14881443 0.79 STIM1 (0.46) DGAT1ALDH1A1STIM1ORAI1
SCHEMBL16019783 0.78 GAA (0.48) SCN9AALDH1A1STIM1ORAI1
SCHEMBL14887335 0.78 BACE1 (0.42) ALDH1A1STIM1ORAI1

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 DGAT1 1057/4885SCN9A 235/4885ALDH1A1 4409/4885

“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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