SCHEMBL16017276

SCHEMBL16017276

CCc1coc(CC)c1C(=O)Nc1ccc(-c2cc3c(cc2C)OC(F)(F)O3)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 2/20 0.39
▸ ORAI1 Q96D31 2/20 0.39
▸ SCN9A Q15858 1/20 0.39
▸ IL2 P60568 7/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ ORAI2 Q96SN7 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA2B P29275 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ LCK P06239 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ NCOA2 Q15596 1/20 0.33
▸ NCOA1 Q15788 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ NCOR2 Q9Y618 1/20 0.33

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
SCHEMBL16017284 0.91 STIM1 (0.40) STIM1ORAI1SCN9AIL2ALDH1A1
SCHEMBL16017240 0.89 STIM1 (0.41) STIM1ORAI1IL2ALDH1A1ORAI2
SCHEMBL16018193 0.87 STIM1 (0.50) STIM1ORAI1SCN9AIL2ALDH1A1
SCHEMBL16019813 0.82 ALDH1A1 (0.44) STIM1ORAI1SCN9AIL2ALDH1A1
SCHEMBL16017274 0.82 NPC1 (0.50) STIM1ORAI1SCN9AIL2ALDH1A1
SCHEMBL16017207 0.81 STIM1 (0.42) STIM1ORAI1IL2ORAI2MEN1
SCHEMBL16018229 0.80 STIM1 (0.54) STIM1ORAI1IL2ORAI2
SCHEMBL16019818 0.79 CYP1A2 (0.46) ALDH1A1MAPTKMT2A
SCHEMBL14887381 0.79 IL2 (0.56) STIM1ORAI1SCN9AIL2ORAI2
SCHEMBL16017233 0.79 STIM1 (0.44) STIM1ORAI1SCN9AIL2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 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-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885SCN9A 235/4885

“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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