SCHEMBL16018190

SCHEMBL16018190

Cc1cc2c(cc1-c1cnc(NC(=O)c3c(C(C)C)noc3C)cn1)OC(F)(F)O2

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 3/20 0.54
▸ ORAI1 Q96D31 3/20 0.54
▸ ORAI2 Q96SN7 1/20 0.54
▸ IL2 P60568 11/20 0.38
▸ TDP1 Q9NUW8 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ TAS2R8 Q9NYW2 1/20 0.33

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
SCHEMBL16018200 0.91 STIM1 (0.64) STIM1ORAI1ORAI2IL2TDP1
SCHEMBL14881320 0.88 STIM1 (0.57) STIM1ORAI1ORAI2IL2ALDH1A1
SCHEMBL14885667 0.87 STIM1 (0.48) STIM1ORAI1ORAI2IL2TDP1
SCHEMBL16020542 0.85 STIM1 (0.54) STIM1ORAI1ORAI2TDP1ALDH1A1
SCHEMBL14885687 0.85 STIM1 (0.54) STIM1ORAI1ORAI2IL2ALDH1A1
SCHEMBL14885671 0.83 STIM1 (0.54) STIM1ORAI1ORAI2IL2ALDH1A1
SCHEMBL16020534 0.82 STIM1 (0.52) STIM1ORAI1ORAI2IL2TAS2R8
SCHEMBL16018218 0.82 STIM1 (0.54) STIM1ORAI1ORAI2IL2
SCHEMBL16018231 0.81 STIM1 (0.58) STIM1ORAI1ORAI2IL2ALDH1A1
SCHEMBL14887768 0.81 TP53 (0.40) STIM1ORAI1IL2TAS2R8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856240-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2018-01-02 — — US disclosed
US-20140256745-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2014-09-11 — — US disclosed
US-20140256745-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2014-09-11 — — 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 (1 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-20140256745-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.

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