SCHEMBL13044742

SCHEMBL13044742

COC(=O)c1cc(Oc2ncc(CN)cc2C(F)(F)F)c(F)cc1N(C(=O)[C@H]1CC[C@H](C)CC1)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 2/20 0.35
▸ PTK2 Q05397 5/20 0.34
▸ LRRK2 Q5S007 2/20 0.30
▸ KDR P35968 1/20 0.30
▸ TAS1R3 Q7RTX0 1/20 0.30
▸ TAS1R1 Q7RTX1 1/20 0.30
▸ TAS1R2 Q8TE23 1/20 0.30

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
SCHEMBL13947101 0.93 PTK2 (0.34) SCN9APTK2LRRK2
SCHEMBL13044756 0.93 SCN9A (0.34) SCN9APTK2KDR
SCHEMBL13044704 0.92 SCN9A (0.35) SCN9APTK2KDR
SCHEMBL13044744 0.92 SCN9A (0.33) SCN9APTK2KDR
SCHEMBL13044814 0.92 SCN9A (0.33) SCN9APTK2KDR
SCHEMBL13044802 0.92 SCN9A (0.33) SCN9APTK2KDR
SCHEMBL13947023 0.91 SCN9A (0.33) SCN9APTK2
SCHEMBL13044816 0.91 SCN9A (0.33) SCN9APTK2
SCHEMBL13044748 0.90 SCN9A (0.33) SCN9APTK2
SCHEMBL13078552 0.90 SCN9A (0.33) SCN9APTK2

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-20100286131-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-11 — — US disclosed
WO-2009018656-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-12 — — WO 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-20100286131-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2B SCN9A 1852/4885PTK2 4679/4885LRRK2 4091/4885

“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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