SCHEMBL768868

SCHEMBL768868

Cn1nc(-c2nccs2)cc1B(O)O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMPD3 Q9NY59 1/20 0.42
▸ STIM1 Q13586 2/20 0.39
▸ ORAI1 Q96D31 2/20 0.39
▸ HSP90AA1 P07900 1/20 0.35
▸ SYK P43405 5/20 0.34
▸ SRC P12931 4/20 0.34
▸ ZAP70 P43403 3/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ SPHK2 Q9NRA0 1/20 0.33
▸ SPHK1 Q9NYA1 1/20 0.33
▸ PDPK1 O15530 1/20 0.33
▸ PDE10A Q9Y233 3/20 0.32
▸ CYP1A1 P04798 3/20 0.32
▸ CYP1A2 P05177 3/20 0.32
▸ CYP1B1 Q16678 3/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ CDK2 P24941 1/20 0.32

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
SCHEMBL16482191 0.81 ADORA2A (0.41) SMPD3STIM1ORAI1HSP90AA1SYK
SCHEMBL16482533 0.78 SMPD3 (0.33) SMPD3HSP90AA1SYKRAB9APDPK1
SCHEMBL21241203 0.77 PDE10A (0.40) SMPD3STIM1ORAI1HSP90AA1SYK
SCHEMBL26639107 0.74 KDM4E (0.44) SMPD3STIM1ORAI1HSP90AA1PDPK1
SCHEMBL1701677 0.74 SMPD3 (0.41) SMPD3STIM1ORAI1HSP90AA1SYK
SCHEMBL22951305 0.73 STIM1 (0.37) SMPD3STIM1ORAI1HSP90AA1SYK
SCHEMBL16482300 0.70 KDM4E (0.45) HSP90AA1RAB9APDE10ACYP1A2NPC1
SCHEMBL15154274 0.69 ADORA2A (0.40) NPC1
SCHEMBL2049587 0.67 PDPK1 (0.33) SMPD3RAB9APDPK1PDE10ANPC1
SCHEMBL2047756 0.67 LMNA (0.39) SMPD3RAB9APDPK1PDE10ANPC1

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 42 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
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-10336738-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2019-07-02 — — US disclosed
US-20170044152-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2017-02-16 — — US disclosed
US-20170044152-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2017-02-16 — — US disclosed
US-9512116-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2016-12-06 — — US disclosed
US-9512116-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2016-12-06 — — US disclosed
US-20120071516-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-03-22 — — US disclosed
US-20120071516-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-03-22 — — 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-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 (8 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 SMPD3 271/4885STIM1 17/4885ORAI1 1/4885
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 SMPD3 271/4885STIM1 17/4885ORAI1 1/4885
US-10336738-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 SMPD3 271/4885STIM1 17/4885ORAI1 1/4885
US-20170044152-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 SMPD3 271/4885STIM1 17/4885ORAI1 1/4885
US-20200317617-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 SMPD3 271/4885STIM1 17/4885ORAI1 1/4885
US-20120071516-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 SMPD3 271/4885STIM1 17/4885ORAI1 1/4885
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 SMPD3 271/4885STIM1 17/4885ORAI1 1/4885
US-11905248-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 SMPD3 271/4885STIM1 17/4885ORAI1 1/4885

“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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