SCHEMBL16017233

SCHEMBL16017233

CCc1cnsc1C(=O)Nc1ccc(-c2cc3c(cc2C)OC(F)(F)O3)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 2/20 0.44
▸ ORAI1 Q96D31 2/20 0.44
▸ SCN9A Q15858 1/20 0.40
▸ KIT P10721 4/20 0.38
▸ BRAF P15056 4/20 0.38
▸ KDR P35968 3/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ AKT1 P31749 2/20 0.38
▸ POLQ O75417 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ ADORA2B P29275 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ ORAI2 Q96SN7 1/20 0.36
▸ IL2 P60568 3/20 0.35
▸ MAPK14 Q16539 2/20 0.35
▸ LCK P06239 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
SCHEMBL16018162 0.89 STIM1 (0.52) STIM1ORAI1SCN9AKITBRAF
SCHEMBL16019784 0.84 ABCC8 (0.42) STIM1ORAI1SCN9A
SCHEMBL15164962 0.82 STIM1 (0.46) STIM1ORAI1SCN9AKITBRAF
SCHEMBL15983157 0.82 STIM1 (0.38) STIM1ORAI1SCN9AKITBRAF
SCHEMBL14881337 0.81 LMNA (0.53) STIM1ORAI1SCN9AMEN1KMT2A
SCHEMBL16018178 0.81 STIM1 (0.52) STIM1ORAI1KITBRAFKDR
SCHEMBL16017284 0.80 STIM1 (0.40) STIM1ORAI1SCN9APOLQMAPT
SCHEMBL16017275 0.79 RAB9A (0.53) STIM1ORAI1SCN9AMAPTMEN1
SCHEMBL14881327 0.79 KMT2A (0.47) STIM1ORAI1SCN9AKITBRAF
SCHEMBL16017276 0.79 STIM1 (0.39) STIM1ORAI1SCN9APOLQMAPT

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 STIM1 17/4885ORAI1 1/4885SCN9A 235/4885

“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.

Send feedback