SCHEMBL14885645

SCHEMBL14885645

Cc1cc2c(cc1-c1cnc(NC(=O)c3cc(-c4ccccc4)oc3C)cn1)OC(F)(F)O2

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 3/20 0.52
▸ ORAI1 Q96D31 3/20 0.52
▸ ORAI2 Q96SN7 1/20 0.52
▸ ALDH1A1 P00352 6/20 0.45
▸ MEN1 O00255 5/20 0.45
▸ KMT2A Q03164 5/20 0.45
▸ HPGD P15428 3/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ ALOX12 P18054 1/20 0.45
▸ DGAT1 O75907 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ IL2 P60568 7/20 0.42

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
SCHEMBL14885646 0.91 STIM1 (0.62) STIM1ORAI1ORAI2ALDH1A1MEN1
SCHEMBL16018236 0.89 STIM1 (0.50) STIM1ORAI1ORAI2ALDH1A1MEN1
SCHEMBL12156041 0.85 STIM1 (0.61) STIM1ORAI1ORAI2ALDH1A1IL2
SCHEMBL12155639 0.83 STIM1 (0.60) STIM1ORAI1ORAI2ALDH1A1MEN1
SCHEMBL1701611 0.83 STIM1 (0.65) STIM1ORAI1ORAI2ALDH1A1KMT2A
SCHEMBL1701748 0.82 STIM1 (0.64) STIM1ORAI1ORAI2ALDH1A1CYP1A2
SCHEMBL14887338 0.82 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AHPGDCYP1A2
SCHEMBL16018203 0.82 STIM1 (0.48) STIM1ORAI1ORAI2ALDH1A1MEN1
SCHEMBL16018207 0.81 STIM1 (0.51) STIM1ORAI1ORAI2MAPTDGAT1
SCHEMBL16018234 0.79 STIM1 (0.51) STIM1ORAI1ORAI2ALDH1A1MEN1

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 4 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
WO-2013059677-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-04-25 — — 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 (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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