SCHEMBL16010393

SCHEMBL16010393

Cc1cc2c(cc1-c1cnc(NC(=O)c3c(Cl)c(C(F)(F)F)nn3C)cn1)OC(F)(F)O2

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 3/20 0.51
▸ ORAI1 Q96D31 3/20 0.51
▸ ORAI2 Q96SN7 1/20 0.51
▸ IL2 P60568 8/20 0.39
▸ ALDH1A1 P00352 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ MAPT P10636 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ S1PR2 O95136 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HTT P42858 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ ATF1 P18846 1/20 0.32
▸ NFKB1 P19838 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
SCHEMBL14881370 0.92 STIM1 (0.56) STIM1ORAI1ORAI2IL2ALDH1A1
SCHEMBL16010208 0.89 STIM1 (0.54) STIM1ORAI1ORAI2IL2ALDH1A1
SCHEMBL14881385 0.83 STIM1 (0.57) STIM1ORAI1ORAI2IL2ALDH1A1
SCHEMBL16018154 0.83 STIM1 (0.54) STIM1ORAI1ORAI2IL2
SCHEMBL14881723 0.82 STIM1 (0.48) STIM1ORAI1ORAI2ALDH1A1CYP1A2
SCHEMBL14881331 0.82 ALDH1A1 (0.45) STIM1ORAI1IL2ALDH1A1CYP1A2
SCHEMBL16009833 0.82 STIM1 (0.61) STIM1ORAI1ORAI2IL2ALDH1A1
SCHEMBL16018153 0.80 STIM1 (0.58) STIM1ORAI1ORAI2IL2SMN1; SMN2
SCHEMBL16020538 0.80 STIM1 (0.47) STIM1ORAI1ORAI2IL2ALDH1A1
SCHEMBL14885663 0.79 STIM1 (0.49) STIM1ORAI1ORAI2IL2

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-9856240-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2018-01-02 — — US disclosed
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
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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