SCHEMBL1701649

SCHEMBL1701649

O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)c1c(F)cccc1F

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 4/20 0.67
▸ ORAI1 Q96D31 4/20 0.67
▸ ORAI2 Q96SN7 1/20 0.67
▸ IL2 P60568 6/20 0.49
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ABL1 P00519 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ BRD4 O60885 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
SCHEMBL12155461 0.92 STIM1 (0.58) STIM1ORAI1ORAI2IL2NPC1
SCHEMBL12155457 0.91 STIM1 (0.60) STIM1ORAI1ORAI2IL2NPC1
SCHEMBL12156248 0.89 STIM1 (0.63) STIM1ORAI1ORAI2IL2NPC1
SCHEMBL12156210 0.88 STIM1 (0.68) STIM1ORAI1ORAI2IL2NPC1
SCHEMBL12156036 0.88 STIM1 (0.64) STIM1ORAI1ORAI2NPC1RAB9A
SCHEMBL1702247 0.88 STIM1 (0.62) STIM1ORAI1ORAI2NPC1RAB9A
SCHEMBL12155932 0.88 STIM1 (0.54) STIM1ORAI1ORAI2IL2NPC1
SCHEMBL12241615 0.88 STIM1 (0.54) STIM1ORAI1ORAI2IL2NPC1
SCHEMBL1701956 0.87 STIM1 (0.66) STIM1ORAI1ORAI2IL2MEN1
SCHEMBL12155649 0.87 NPC1 (0.52) STIM1ORAI1ORAI2IL2NPC1

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 39 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
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
EP-3331525-B1 USE OF CRAC CHANNEL INHIBITORS FOR THE TREATMENT OF STROKE AND TRAUMATIC BRAIN INJURY CALCIMEDICA INC (US) 2020-10-07 — — EP disclosed
US-10703722-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2020-07-07 — — US disclosed
US-10703722-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2020-07-07 — — US disclosed
US-20200101069-A1 CRAC CHANNEL INHIBITORS FOR THE TREATMENT OF STROKE AND TRAUMATIC BRAIN INJURY THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS 2020-04-02 — — US disclosed
US-10478435-B2 Use of CRAC channel inhibitors for the treatment of stroke and traumatic brain injury CALCIMEDICA, INC. (US) 2019-11-19 — — US disclosed
US-10420766-B2 — — 2019-09-24 — — US disclosed
US-20180235959-A1 USE OF CRAC CHANNEL INHIBITORS FOR THE TREATMENT OF STROKE AND TRAUMATIC BRAIN INJURY AVENUE CAPITAL MANAGEMENT II, L.P. 2018-08-23 — — US disclosed
US-20130245063-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-09-19 — — US disclosed
US-20130245063-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-09-19 — — US disclosed
EP-2563776-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM Calcimedica, Inc. (US) 2013-03-06 — — EP disclosed
US-20120316182-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-12-13 — — US disclosed
US-20120316182-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-12-13 — — US 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 (10 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-10478435-B2 Use of CRAC channel inhibitors for the treatment of stroke and traumatic brain injury CACNA1C, CACNA1E, CACNA1G STIM1 93/4885ORAI1 13/4885ORAI2 54/4885
US-20180235959-A1 USE OF CRAC CHANNEL INHIBITORS FOR THE TREATMENT OF STROKE AND TRAUMATIC BRAIN INJURY CACNA1C, CACNA1E, CACNA1G STIM1 93/4885ORAI1 13/4885ORAI2 54/4885
US-10703722-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885ORAI2 19/4885
US-20120316182-A1 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-20200101069-A1 CRAC CHANNEL INHIBITORS FOR THE TREATMENT OF STROKE AND TRAUMATIC BRAIN INJURY CACNA1C, CACNA1E, CACNA1G STIM1 84/4885ORAI1 10/4885ORAI2 49/4885
US-20200317617-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885ORAI2 19/4885
US-20130245063-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885ORAI2 19/4885
US-10420766-B2 — CACNA1C, CACNA1G, CACNA1E STIM1 157/4885ORAI1 16/4885ORAI2 51/4885
US-11905248-B2 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.

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