SCHEMBL16017253

SCHEMBL16017253

Cc1cocc1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 3/20 0.43
▸ ORAI1 Q96D31 3/20 0.43
▸ ORAI2 Q96SN7 1/20 0.43
▸ SCN9A Q15858 1/20 0.39
▸ ACR P10323 1/20 0.36
▸ MAPT P10636 3/20 0.36
▸ POLQ O75417 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ IL2 P60568 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ SMO Q99835 1/20 0.36
▸ TAS1R3 Q7RTX0 1/20 0.35
▸ TAS1R1 Q7RTX1 1/20 0.35
▸ F10 P00742 1/20 0.35

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
SCHEMBL16017232 0.90 SCN9A (0.45) STIM1ORAI1ORAI2SCN9APOLQ
SCHEMBL16018145 0.87 STIM1 (0.52) STIM1ORAI1ORAI2SCN9AMAPT
SCHEMBL16017272 0.85 STIM1 (0.43) STIM1ORAI1ORAI2SCN9AACR
SCHEMBL14887576 0.83 SCN10A (0.44) STIM1ORAI1ORAI2SCN9AACR
SCHEMBL2595935 0.82 SMO (0.55) ACRMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL16017229 0.82 NPC1 (0.47) STIM1ORAI1ORAI2SCN9AMAPT
SCHEMBL16017213 0.82 GRM1 (0.48) SMN1; SMN2NPC1RAB9A
SCHEMBL14887584 0.81 STIM1 (0.42) STIM1ORAI1ORAI2SCN9AACR
SCHEMBL12181709 0.81 MEN1 (0.53) STIM1ORAI1ORAI2MAPTSMN1; SMN2
SCHEMBL14887591 0.79 STIM1 (0.46) STIM1ORAI1ORAI2SCN9AACR

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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