SCHEMBL17045201

SCHEMBL17045201

CCn1nc(-c2nccs2)cc1-c1ccc(N(C=O)c2c(F)cc(F)cc2F)s1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 2/20 0.40
▸ ORAI1 Q96D31 2/20 0.40
▸ ADORA3 P0DMS8 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ SCN9A Q15858 1/20 0.30

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
SCHEMBL17045200 0.94 STIM1 (0.42) STIM1ORAI1ADORA3ADORA2AADORA1
SCHEMBL17045197 0.88 STIM1 (0.51) STIM1ORAI1
SCHEMBL16463680 0.81 STIM1 (0.43) STIM1ORAI1ADORA3ADORA2AADORA1
SCHEMBL17045187 0.81 STIM1 (0.54) STIM1ORAI1
SCHEMBL17045188 0.79 STIM1 (0.50) STIM1ORAI1
SCHEMBL16464984 0.76 STIM1 (0.49) STIM1ORAI1ADORA3ADORA2AADORA1
SCHEMBL16463664 0.70 STIM1 (0.52) STIM1ORAI1
SCHEMBL1702011 0.64 STIM1 (0.43) STIM1ORAI1ADORA2AADORA1SCN9A
SCHEMBL16636703 0.64 STIM1 (0.41) STIM1ORAI1SCN9A
SCHEMBL16465852 0.63 STIM1 (0.62) STIM1ORAI1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9512116-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2016-12-06 — — US disclosed
US-20150246909-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-09-03 — — 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-20150246909-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885ADORA3 2617/4885

“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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