SCHEMBL724582

SCHEMBL724582

Cc1cc2c(C)noc2cc1-c1ccc(C(=O)Nc2c(F)cccc2F)s1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 6/20 0.59
▸ ORAI1 Q96D31 6/20 0.59
▸ IL2 P60568 5/20 0.58
▸ S1PR2 O95136 1/20 0.50
▸ S1PR4 O95977 1/20 0.50
▸ ESRRG P62508 5/20 0.46
▸ TP53 P04637 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ESR1 P03372 1/20 0.39
▸ HDAC4 P56524 1/20 0.38

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
SCHEMBL29642184 1.00 STIM1 (0.59) STIM1ORAI1IL2S1PR2S1PR4
SCHEMBL10201106 0.89 STIM1 (0.59) STIM1ORAI1IL2S1PR2S1PR4
SCHEMBL17766401 0.76 STIM1 (0.59) STIM1ORAI1IL2S1PR2S1PR4
SCHEMBL720496 0.76 STIM1 (0.64) STIM1ORAI1IL2S1PR2S1PR4
SCHEMBL16362066 0.75 STIM1 (0.58) STIM1ORAI1IL2S1PR2S1PR4
SCHEMBL8263092 0.74 IL2 (0.78) STIM1ORAI1IL2S1PR2S1PR4
SCHEMBL8263091 0.74 IL2 (0.77) STIM1ORAI1IL2S1PR2S1PR4
SCHEMBL10201108 0.74 STIM1 (1.00) STIM1ORAI1IL2S1PR2S1PR4
SCHEMBL5267948 0.74 IL2 (1.00) STIM1ORAI1IL2S1PR2S1PR4
SCHEMBL5268790 0.74 IL2 (0.84) STIM1ORAI1IL2S1PR2S1PR4

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 14 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-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-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-9079891-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-07-14 — — US disclosed
EP-2609095-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM Calcimedica, Inc. (US) 2013-07-03 — — EP 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
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-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 1/4885IL2 3716/4885
US-20150344469-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885IL2 3716/4885
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885IL2 3716/4885

“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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