SCHEMBL720496

SCHEMBL720496

Cc1cc2scnc2cc1-c1ccc(C(=O)Nc2c(F)cccc2F)s1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 8/20 0.64
ORAI1 Q96D31 8/20 0.64
IL2 P60568 3/20 0.58
S1PR2 O95136 1/20 0.50
S1PR4 O95977 1/20 0.50
ESRRG P62508 4/20 0.46
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ESR1 P03372 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
SCHEMBL720890 0.89 STIM1 (0.62) STIM1ORAI1IL2S1PR2S1PR4
SCHEMBL29642099 0.86 STIM1 (0.71) STIM1ORAI1IL2S1PR2S1PR4
SCHEMBL721821 0.86 STIM1 (0.71) STIM1ORAI1IL2S1PR2S1PR4
SCHEMBL720884 0.81 STIM1 (0.80) STIM1ORAI1IL2S1PR2S1PR4
SCHEMBL767072 0.80 STIM1 (0.55) STIM1ORAI1IL2NPC1RAB9A
SCHEMBL10201108 0.78 STIM1 (1.00) STIM1ORAI1IL2S1PR2S1PR4
SCHEMBL10201085 0.77 STIM1 (1.00) STIM1ORAI1IL2NPC1RAB9A
SCHEMBL724582 0.76 STIM1 (0.59) STIM1ORAI1IL2S1PR2S1PR4
SCHEMBL29642184 0.76 STIM1 (0.59) STIM1ORAI1IL2S1PR2S1PR4
SCHEMBL10201105 0.75 STIM1 (0.83) STIM1ORAI1IL2ESRRGNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114591311-A Compounds that modulate intracellular calcium 钙医学公司 2022-06-07 CN disclosed
US-10336738-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2019-07-02 US disclosed
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-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-9079891-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-07-14 US disclosed
EP-2609095-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM Calcimedica, Inc. (US) 2013-07-03 EP 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
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
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 1/4885IL2 3716/4885
US-20150344469-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885IL2 3716/4885
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885IL2 3716/4885

“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.