SCHEMBL14885688

SCHEMBL14885688

Cc1cc2c(cc1-c1ccc(NC(=O)c3ocnc3C)nc1)OC(F)(F)O2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 2/20 0.52
▸ ORAI1 Q96D31 2/20 0.52
▸ ALDH1A1 P00352 7/20 0.44
▸ LMNA P02545 5/20 0.44
▸ HSD17B10 Q99714 5/20 0.44
▸ NPC1 O15118 5/20 0.44
▸ RAB9A P51151 5/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ TSHR P16473 2/20 0.44
▸ KMT2A Q03164 3/20 0.43
▸ PKM P14618 3/20 0.43
▸ TP53 P04637 1/20 0.43
▸ ORAI2 Q96SN7 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ SCN9A Q15858 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ GLA P06280 1/20 0.39
▸ POLQ O75417 1/20 0.39

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
SCHEMBL14885674 0.90 STIM1 (0.50) STIM1ORAI1ALDH1A1LMNAHSD17B10
SCHEMBL16019777 0.88 ALDH1A1 (0.53) STIM1ORAI1ALDH1A1LMNAHSD17B10
SCHEMBL16018189 0.88 STIM1 (0.52) STIM1ORAI1ALDH1A1LMNAHSD17B10
SCHEMBL16018235 0.87 STIM1 (0.53) STIM1ORAI1NPC1RAB9AKMT2A
SCHEMBL16020533 0.85 STIM1 (0.52) STIM1ORAI1NPC1RAB9AORAI2
SCHEMBL16020560 0.85 STIM1 (0.53) STIM1ORAI1ALDH1A1LMNAHSD17B10
SCHEMBL16018165 0.84 STIM1 (0.53) STIM1ORAI1NPC1RAB9AORAI2
SCHEMBL14885684 0.82 STIM1 (0.49) STIM1ORAI1ALDH1A1LMNAHSD17B10
SCHEMBL14885660 0.82 STIM1 (0.51) STIM1ORAI1ALDH1A1HSD17B10NPC1
SCHEMBL16018223 0.82 STIM1 (0.51) STIM1ORAI1ALDH1A1ORAI2SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885ALDH1A1 4409/4885

“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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