SCHEMBL10201111

SCHEMBL10201111

Cc1cc2cnn(C)c2cc1-c1ccc(C(=O)Nc2ccccc2F)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 5/20 1.00
ORAI1 Q96D31 5/20 1.00
SMN1; SMN2 Q16637 4/20 0.51
TP53 P04637 2/20 0.51
ESRRG P62508 4/20 0.48
ESR1 P03372 2/20 0.48
ESR2 Q92731 1/20 0.46
IL2 P60568 1/20 0.44
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL10201109 0.81 STIM1 (0.81) STIM1ORAI1SMN1; SMN2TP53ESRRG
SCHEMBL10201106 0.74 STIM1 (0.59) STIM1ORAI1SMN1; SMN2TP53ESRRG
SCHEMBL720890 0.74 STIM1 (0.62) STIM1ORAI1SMN1; SMN2TP53ESRRG
SCHEMBL10201139 0.72 STIM1 (0.70) STIM1ORAI1SMN1; SMN2TP53ESRRG
SCHEMBL10201178 0.70 STIM1 (0.75) STIM1ORAI1SMN1; SMN2TP53ESRRG
SCHEMBL10201108 0.70 STIM1 (1.00) STIM1ORAI1SMN1; SMN2TP53ESRRG
SCHEMBL29642074 0.69 STIM1 (0.53) STIM1ORAI1SMN1; SMN2TP53ESRRG
SCHEMBL10201120 0.69 STIM1 (0.53) STIM1ORAI1SMN1; SMN2TP53ESRRG
SCHEMBL10201110 0.69 STIM1 (1.00) STIM1ORAI1ESRRGESR1IL2
SCHEMBL12155420 0.69 IL2 (0.54) STIM1ORAI1IL2

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
WO-2012027710-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2012-03-01 WO disclosed
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-03-01 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 (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 1/4885SMN1; SMN2 854/4885
US-20150344469-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885SMN1; SMN2 854/4885
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885SMN1; SMN2 854/4885

“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.