SCHEMBL16017240

SCHEMBL16017240

CCc1coc(CC)c1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 3/20 0.41
▸ ORAI1 Q96D31 3/20 0.41
▸ ORAI2 Q96SN7 1/20 0.41
▸ IL2 P60568 2/20 0.37
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ MAPT P10636 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ GHSR Q92847 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ TAS1R3 Q7RTX0 1/20 0.33
▸ TAS1R1 Q7RTX1 1/20 0.33
▸ LCK P06239 2/20 0.33
▸ MAPK14 Q16539 2/20 0.33
▸ ACR P10323 1/20 0.32

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
SCHEMBL16017207 0.90 STIM1 (0.42) STIM1ORAI1ORAI2IL2MEN1
SCHEMBL16017276 0.89 STIM1 (0.39) STIM1ORAI1ORAI2IL2MEN1
SCHEMBL16018227 0.88 STIM1 (0.49) STIM1ORAI1ORAI2IL2MEN1
SCHEMBL16019805 0.83 CYP1A2 (0.47) STIM1ORAI1ORAI2IL2MEN1
SCHEMBL16017229 0.81 NPC1 (0.47) STIM1ORAI1ORAI2IL2MEN1
SCHEMBL16018244 0.80 STIM1 (0.62) STIM1ORAI1ORAI2IL2LCK
SCHEMBL16017284 0.80 STIM1 (0.40) STIM1ORAI1ORAI2IL2MEN1
SCHEMBL16019817 0.79 SMN1; SMN2 (0.50) STIM1ORAI1ORAI2KMT2AMAPT
SCHEMBL16018185 0.78 STIM1 (0.51) STIM1ORAI1ORAI2IL2MEN1
SCHEMBL29505146 0.78 IL2 (0.59) STIM1ORAI1ORAI2IL2MAPT

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 1/4885ORAI2 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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