SCHEMBL16017232

SCHEMBL16017232

Cc1cocc1C(=O)Nc1ccc(-c2cc3c(cc2C)OC(F)(F)O3)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.45
▸ STIM1 Q13586 2/20 0.41
▸ ORAI1 Q96D31 2/20 0.41
▸ POLQ O75417 1/20 0.39
▸ IL2 P60568 2/20 0.38
▸ HTT P42858 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ RAB9A P51151 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ KIT P10721 5/20 0.35
▸ BRAF P15056 5/20 0.35
▸ LMNA P02545 1/20 0.35
▸ LCK P06239 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
SCHEMBL16017253 0.90 STIM1 (0.43) SCN9ASTIM1ORAI1POLQIL2
SCHEMBL16018222 0.86 STIM1 (0.53) SCN9ASTIM1ORAI1POLQIL2
SCHEMBL17805358 0.85 SMN1; SMN2 (0.51) SCN9ANPSR1RAB9ASMN1; SMN2KMT2A
SCHEMBL16017226 0.84 SCN9A (0.45) SCN9ASTIM1ORAI1POLQIL2
SCHEMBL14887583 0.84 SCN9A (0.43) SCN9ASTIM1ORAI1POLQIL2
SCHEMBL14881301 0.83 MEN1 (0.53) SCN9ASTIM1ORAI1IL2HTT
SCHEMBL14887348 0.81 SCN9A (0.43) SCN9ASTIM1ORAI1POLQIL2
SCHEMBL16017274 0.81 NPC1 (0.50) SCN9ASTIM1ORAI1POLQIL2
SCHEMBL16017210 0.81 MEN1 (0.50) SCN9ARAB9ASMN1; SMN2KMT2ANPC1
SCHEMBL14887562 0.80 STIM1 (0.55) SCN9ASTIM1ORAI1POLQIL2

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 SCN9A 235/4885STIM1 17/4885ORAI1 1/4885

“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.

Send feedback