SCHEMBL10201105

SCHEMBL10201105

O=C(Nc1ccccc1F)c1ccc(-c2cc3scnc3cc2Cl)s1

nearest known ligand 0.83

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 5/20 0.83
ORAI1 Q96D31 5/20 0.83
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
TP53 P04637 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ESRRG P62508 5/20 0.50
ESR1 P03372 3/20 0.50
ESR2 Q92731 1/20 0.48
MAPT P10636 2/20 0.47
IL2 P60568 1/20 0.46
HTT P42858 1/20 0.43

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
SCHEMBL721455 0.91 STIM1 (1.00) STIM1ORAI1NPC1RAB9ATP53
SCHEMBL721821 0.89 STIM1 (0.71) STIM1ORAI1NPC1RAB9ATP53
SCHEMBL29642099 0.89 STIM1 (0.71) STIM1ORAI1NPC1RAB9ATP53
SCHEMBL720890 0.86 STIM1 (0.62) STIM1ORAI1NPC1RAB9ATP53
SCHEMBL720884 0.80 STIM1 (0.80) STIM1ORAI1NPC1RAB9AESRRG
SCHEMBL10201120 0.78 STIM1 (0.53) STIM1ORAI1NPC1RAB9ATP53
SCHEMBL29642074 0.78 STIM1 (0.53) STIM1ORAI1NPC1RAB9ATP53
SCHEMBL720496 0.75 STIM1 (0.64) STIM1ORAI1NPC1RAB9ATP53
SCHEMBL10201083 0.74 STIM1 (0.75) STIM1ORAI1NPC1RAB9ASMN1; SMN2
SCHEMBL724410 0.70 STIM1 (0.47) STIM1ORAI1NPC1RAB9A

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 1/4885NPC1 262/4885
US-20150344469-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885NPC1 262/4885
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885NPC1 262/4885

“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.