SCHEMBL16017388

SCHEMBL16017388

Cc1cc(C)c(C(=O)Nc2ccc(Oc3ncc(C)cc3C(F)(F)F)cc2)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ CDK8 P49336 2/20 0.42
▸ TLR8 Q9NR97 6/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ SCN9A Q15858 2/20 0.41
▸ S1PR3 Q99500 1/20 0.41
▸ TLR7 Q9NYK1 3/20 0.40
▸ PTGER4 P35408 1/20 0.39

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
SCHEMBL16017371 0.95 CDK8 (0.44) SMN1; SMN2LMNAHTTCDK8TLR8
SCHEMBL14887625 0.93 S1PR3 (0.44) SMN1; SMN2LMNAHTTCDK8TLR8
SCHEMBL16017369 0.93 SMN1; SMN2 (0.47) SMN1; SMN2LMNAHTTCDK8TLR8
SCHEMBL14887616 0.90 S1PR3 (0.46) SMN1; SMN2CDK8TLR8KMT2AATM
SCHEMBL16017377 0.89 TLR8 (0.49) SMN1; SMN2CDK8TLR8KMT2AATM
SCHEMBL14887612 0.88 TLR8 (0.47) SMN1; SMN2CDK8TLR8KMT2AATM
SCHEMBL14887609 0.88 TLR8 (0.52) SMN1; SMN2LMNAHTTCDK8TLR8
SCHEMBL16017353 0.88 S1PR3 (0.44) SMN1; SMN2LMNAHTTCDK8TLR8
SCHEMBL16017358 0.87 LMNA (0.47) SMN1; SMN2LMNAHTTKMT2AS1PR3
SCHEMBL16019856 0.87 CDK8 (0.43) SMN1; SMN2LMNAHTTCDK8TLR8

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 SMN1; SMN2 854/4885LMNA 1306/4885HTT 809/4885

“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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