SCHEMBL16018215

SCHEMBL16018215

CCc1coc(C)c1C(=O)Nc1ccc(-c2cc3c(cc2C)OC(F)(F)O3)cn1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 6/20 0.51
▸ ORAI1 Q96D31 6/20 0.51
▸ ORAI2 Q96SN7 1/20 0.44
▸ IL2 P60568 2/20 0.40
▸ SCN9A Q15858 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ POLQ O75417 1/20 0.37
▸ ABL1 P00519 3/20 0.35
▸ WNT3A P56704 1/20 0.35
▸ KIT P10721 1/20 0.34
▸ BRAF P15056 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ AKT1 P31749 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ GPR55 Q9Y2T6 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
SCHEMBL16018193 0.91 STIM1 (0.50) STIM1ORAI1ORAI2IL2SCN9A
SCHEMBL16018185 0.91 STIM1 (0.51) STIM1ORAI1ORAI2IL2ALDH1A1
SCHEMBL16018175 0.90 STIM1 (0.52) STIM1ORAI1ORAI2IL2SCN9A
SCHEMBL16017284 0.87 STIM1 (0.40) STIM1ORAI1ORAI2IL2SCN9A
SCHEMBL16018199 0.86 STIM1 (0.54) STIM1ORAI1ORAI2IL2
SCHEMBL14885669 0.84 STIM1 (0.50) STIM1ORAI1ORAI2ALDH1A1CYP2C9
SCHEMBL16018162 0.82 STIM1 (0.52) STIM1ORAI1ORAI2IL2SCN9A
SCHEMBL16018214 0.82 STIM1 (0.55) STIM1ORAI1ORAI2IL2ALDH1A1
SCHEMBL16020574 0.81 STIM1 (0.49) STIM1ORAI1ORAI2IL2SCN9A
SCHEMBL16018227 0.81 STIM1 (0.49) STIM1ORAI1ORAI2IL2ALDH1A1

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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