SCHEMBL10201658

SCHEMBL10201658

Cc1cc2c(cc1-c1ccc(N)s1)OC(F)(F)O2

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 2/20 0.37
ORAI1 Q96D31 2/20 0.37
GPR3 P46089 1/20 0.36
ESR2 Q92731 3/20 0.34
ESR1 P03372 2/20 0.33
SCN9A Q15858 1/20 0.32
PIK3CA P42336 1/20 0.31

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
SCHEMBL10201662 0.76 PGR (0.41) STIM1ORAI1
SCHEMBL1701937 0.75 STIM1 (0.56) STIM1ORAI1SCN9A
SCHEMBL17298997 0.74 KIF11 (0.46) SCN9APIK3CA
SCHEMBL14881412 0.74 STIM1 (0.46) STIM1ORAI1GPR3SCN9APIK3CA
SCHEMBL8239476 0.71 TSHR (0.39) STIM1ORAI1GPR3SCN9APIK3CA
SCHEMBL14881409 0.71 STIM1 (0.41) STIM1ORAI1GPR3ESR2ESR1
SCHEMBL16076086 0.70 TSHR (0.42) STIM1ORAI1GPR3PIK3CA
SCHEMBL1702358 0.70 STIM1 (0.55) STIM1ORAI1
SCHEMBL14158774 0.69 STIM1 (0.61) STIM1ORAI1GPR3ESR2ESR1
SCHEMBL14239039 0.69 STIM1 (0.50) STIM1ORAI1GPR3ESR2ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10336738-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2019-07-02 US disclosed
US-20150344469-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-12-03 US disclosed
US-20150344469-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-12-03 US disclosed
US-9079891-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-07-14 US disclosed
US-9079891-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-07-14 US disclosed
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-03-01 US disclosed
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-03-01 US disclosed
WO-2012027710-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2012-03-01 WO 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 (3 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-10336738-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885GPR3 866/4885
US-20150344469-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885GPR3 866/4885
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885GPR3 866/4885

“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.