SCHEMBL1702134

SCHEMBL1702134

Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 4/20 0.47
ORAI1 Q96D31 4/20 0.47
ORAI2 Q96SN7 1/20 0.47
FEN1 P39748 14/20 0.42
ALOX5AP P20292 13/20 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
SCHEMBL29394245 1.00 STIM1 (0.47) STIM1ORAI1ORAI2FEN1ALOX5AP
SCHEMBL1701172 0.84 ALOX5AP (0.38) STIM1ORAI1ORAI2FEN1ALOX5AP
SCHEMBL12156317 0.82 STIM1 (0.47) STIM1ORAI1ORAI2
SCHEMBL1702358 0.82 STIM1 (0.55) STIM1ORAI1ORAI2FEN1ALOX5AP
SCHEMBL12156322 0.80 STIM1 (0.56) STIM1ORAI1ORAI2
SCHEMBL1701752 0.78 STIM1 (0.56) STIM1ORAI1ORAI2FEN1
SCHEMBL12241542 0.75 STIM1 (0.62) STIM1ORAI1ORAI2
SCHEMBL12155542 0.73 STIM1 (0.60) STIM1ORAI1ORAI2
SCHEMBL22636402 0.72 STIM1 (0.52) STIM1ORAI1ORAI2
SCHEMBL29393757 0.72 STIM1 (0.52) STIM1ORAI1ORAI2

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11905248-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2024-02-20 US disclosed
WO-2022101654-A1 IMPROVED SYNTHESIS OF CRAC CHANNEL INHIBITORS CALCIMEDICA, INC. (US) 2022-05-19 WO disclosed
EP-3965760-A1 SYNTHESIS OF CRAC CHANNEL INHIBITORS Calcimedica, Inc. (US) 2022-03-16 EP disclosed
US-20220056053-A1 SYNTHESIS OF CRAC CHANNEL INHIBITORS AVENUE CAPITAL MANAGEMENT II, L.P. 2022-02-24 US disclosed
CN-114072143-A Synthesis of CRAC channel inhibitors 钙医学公司 2022-02-18 CN disclosed
WO-2020227312-A1 SYNTHESIS OF CRAC CHANNEL INHIBITORS CALCIMEDICA, INC. (US) 2020-11-12 WO disclosed
WO-2020227312-A1 SYNTHESIS OF CRAC CHANNEL INHIBITORS CALCIMEDICA, INC. (US) 2020-11-12 WO disclosed
US-20200317617-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2020-10-08 US disclosed
US-20200317617-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2020-10-08 US disclosed
US-10703722-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2020-07-07 US disclosed
US-20130345240-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-12-26 US disclosed
US-8546403-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-10-01 US disclosed
WO-2013059677-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-04-25 WO disclosed
WO-2013059677-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-04-25 WO disclosed
EP-2563776-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM Calcimedica, Inc. (US) 2013-03-06 EP disclosed
WO-2011139489-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-11-10 WO disclosed
WO-2011139489-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-11-10 WO disclosed
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-10-27 US disclosed
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-10-27 US disclosed
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-10-27 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 (6 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-10703722-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885ORAI2 19/4885
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885ORAI2 19/4885
US-20220056053-A1 SYNTHESIS OF CRAC CHANNEL INHIBITORS CACNA1E, CACNA1C, ORAI1 STIM1 53/4885ORAI1 3/4885ORAI2 13/4885
US-20200317617-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885ORAI2 19/4885
US-11905248-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885ORAI2 19/4885
US-20130345240-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885ORAI2 19/4885

“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.