SCHEMBL16017343

SCHEMBL16017343

O=C(Nc1ccc(Oc2ncc(F)cc2C(F)(F)F)cc1)c1c(F)cccc1F

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 10/20 0.53
▸ TLR7 Q9NYK1 3/20 0.53
▸ KDM4E B2RXH2 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ S1PR3 Q99500 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ JAK2 O60674 1/20 0.45
▸ JAK1 P23458 1/20 0.45
▸ TYK2 P29597 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ NOD2 Q9HC29 1/20 0.45
▸ SCN8A Q9UQD0 1/20 0.45
▸ SCN10A Q9Y5Y9 1/20 0.45
▸ CDK8 P49336 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL14887512 0.93 TLR8 (0.49) TLR8TLR7KDM4ENPC1ALDH1A1
SCHEMBL14887503 0.92 S1PR3 (0.48) TLR8TLR7S1PR3SCN8ASCN10A
SCHEMBL14887505 0.91 TLR8 (0.48) TLR8TLR7NPC1S1PR3CDK8
SCHEMBL14887511 0.90 S1PR3 (0.47) TLR8TLR7KDM4ENPC1ALDH1A1
SCHEMBL16017353 0.89 S1PR3 (0.44) TLR8TLR7KDM4ENPC1ALDH1A1
SCHEMBL14887609 0.89 TLR8 (0.52) TLR8TLR7KDM4ENPC1ALDH1A1
SCHEMBL14887500 0.88 TLR8 (0.61) TLR8NPC1LMNAHTTSMN1; SMN2
SCHEMBL16017365 0.87 S1PR3 (0.44) TLR8TLR7KDM4ENPC1ALDH1A1
SCHEMBL14887507 0.85 S1PR3 (0.45) TLR8TLR7S1PR3LMNAHTT
SCHEMBL16017377 0.85 TLR8 (0.49) TLR8TLR7KDM4ENPC1ALDH1A1

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-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2014-09-11 — — US disclosed
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 TLR8 4453/4885TLR7 4757/4885KDM4E 4057/4885

“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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