SCHEMBL10201318

SCHEMBL10201318

Cn1nc(-c2ccco2)cc1-c1ncc(NC(=O)c2c(F)cccc2F)s1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 8/20 0.41
▸ ORAI1 Q96D31 8/20 0.41
▸ IL2 P60568 4/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ LCLAT1 Q6UWP7 2/20 0.38
▸ BACE1 P56817 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
SCHEMBL16900163 0.94 STIM1 (0.48) STIM1ORAI1IL2L3MBTL1LCLAT1
SCHEMBL10201305 0.90 STIM1 (0.53) STIM1ORAI1L3MBTL1LCLAT1
SCHEMBL10201314 0.86 IL2 (0.51) STIM1ORAI1IL2BACE1
SCHEMBL16900161 0.85 STIM1 (0.43) STIM1ORAI1L3MBTL1LCLAT1
SCHEMBL10201293 0.84 STIM1 (0.57) STIM1ORAI1IL2
SCHEMBL10201072 0.84 STIM1 (0.60) STIM1ORAI1L3MBTL1
SCHEMBL12155569 0.84 IL2 (0.51) STIM1ORAI1IL2L3MBTL1BACE1
SCHEMBL10201322 0.82 LCLAT1 (0.44) STIM1ORAI1LCLAT1
SCHEMBL10201294 0.82 STIM1 (0.57) STIM1ORAI1IL2
SCHEMBL10201324 0.81 ADORA2A (0.38) STIM1ORAI1L3MBTL1

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 5 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-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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