SCHEMBL16018162

SCHEMBL16018162

CCc1cnsc1C(=O)Nc1ccc(-c2cc3c(cc2C)OC(F)(F)O3)cn1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 6/20 0.52
▸ ORAI1 Q96D31 6/20 0.52
▸ ORAI2 Q96SN7 1/20 0.41
▸ SCN9A Q15858 1/20 0.39
▸ KIT P10721 2/20 0.39
▸ BRAF P15056 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ AKT1 P31749 2/20 0.39
▸ KDR P35968 2/20 0.39
▸ POLQ O75417 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ IL2 P60568 1/20 0.37
▸ ABL1 P00519 4/20 0.36
▸ WNT3A P56704 1/20 0.36
▸ GPR55 Q9Y2T6 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
SCHEMBL16017233 0.89 STIM1 (0.44) STIM1ORAI1ORAI2SCN9AKIT
SCHEMBL16018178 0.86 STIM1 (0.52) STIM1ORAI1ORAI2KITBRAF
SCHEMBL16020558 0.85 STIM1 (0.50) STIM1ORAI1ORAI2SCN9AKIT
SCHEMBL16018215 0.82 STIM1 (0.51) STIM1ORAI1ORAI2SCN9AKIT
SCHEMBL12241416 0.82 STIM1 (0.52) STIM1ORAI1ORAI2SCN9AKIT
SCHEMBL16018193 0.82 STIM1 (0.50) STIM1ORAI1ORAI2SCN9AKIT
SCHEMBL16018168 0.81 STIM1 (0.51) STIM1ORAI1ORAI2SCN9AKIT
SCHEMBL12241544 0.80 STIM1 (0.54) STIM1ORAI1ORAI2SCN9ANPC1
SCHEMBL12155538 0.80 STIM1 (0.57) STIM1ORAI1ORAI2NPC1PKM
SCHEMBL14885669 0.80 STIM1 (0.50) STIM1ORAI1ORAI2NPC1RAB9A

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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