SCHEMBL16018227

SCHEMBL16018227

CCc1coc(CC)c1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 4/20 0.49
▸ ORAI1 Q96D31 4/20 0.49
▸ ORAI2 Q96SN7 1/20 0.49
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ KIT P10721 2/20 0.35
▸ BRAF P15056 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ AKT1 P31749 2/20 0.35
▸ KDR P35968 2/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ IL2 P60568 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34

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
SCHEMBL16018185 0.91 STIM1 (0.51) STIM1ORAI1ORAI2NPC1RAB9A
SCHEMBL16018193 0.90 STIM1 (0.50) STIM1ORAI1ORAI2NPC1RAB9A
SCHEMBL16017240 0.88 STIM1 (0.41) STIM1ORAI1ORAI2KDRALDH1A1
SCHEMBL16018244 0.87 STIM1 (0.62) STIM1ORAI1ORAI2NPC1RAB9A
SCHEMBL16020571 0.84 STIM1 (0.48) STIM1ORAI1ORAI2NPC1RAB9A
SCHEMBL16018214 0.82 STIM1 (0.55) STIM1ORAI1ORAI2NPC1RAB9A
SCHEMBL16018215 0.81 STIM1 (0.51) STIM1ORAI1ORAI2KITBRAF
SCHEMBL12155457 0.81 STIM1 (0.60) STIM1ORAI1ORAI2NPC1RAB9A
SCHEMBL14885666 0.81 STIM1 (0.50) STIM1ORAI1ORAI2NPC1RAB9A
SCHEMBL12156210 0.81 STIM1 (0.68) STIM1ORAI1ORAI2NPC1RAB9A

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-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

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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