SCHEMBL16019784

SCHEMBL16019784

CCc1nnsc1C(=O)Nc1ccc(-c2cc3c(cc2C)OC(F)(F)O3)cc1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ABCC8 Q09428 15/20 0.42
▸ KCNJ11 Q14654 15/20 0.42
▸ STIM1 Q13586 1/20 0.41
▸ ORAI1 Q96D31 1/20 0.41
▸ LMNA P02545 1/20 0.39
▸ SCN9A Q15858 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
SCHEMBL16020558 0.89 STIM1 (0.50) ABCC8KCNJ11STIM1ORAI1SCN9A
SCHEMBL14881337 0.88 LMNA (0.53) STIM1ORAI1LMNASCN9A
SCHEMBL16017233 0.84 STIM1 (0.44) STIM1ORAI1SCN9A
SCHEMBL16020555 0.81 STIM1 (0.49) ABCC8KCNJ11STIM1ORAI1
SCHEMBL16019818 0.80 CYP1A2 (0.46) LMNA
SCHEMBL16019813 0.80 ALDH1A1 (0.44) STIM1ORAI1SCN9A
SCHEMBL14881315 0.78 STIM1 (0.49) ABCC8KCNJ11STIM1ORAI1
SCHEMBL12181712 0.78 LMNA (0.51) STIM1ORAI1LMNA
SCHEMBL15986065 0.78 LMNA (0.51) ORAI1LMNA
SCHEMBL16017275 0.78 RAB9A (0.53) STIM1ORAI1SCN9A

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 ABCC8 1186/4885KCNJ11 163/4885STIM1 17/4885

“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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