SCHEMBL12763901

SCHEMBL12763901

CC(C)N(c1ccc(Oc2ncc(CN3CCC(O)C3)cc2C(F)(F)F)cc1C(=O)O)C(=O)[C@H]1CC[C@H](C)CC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 2/20 0.36
▸ LTA4H P09960 7/20 0.34
▸ MCHR1 Q99705 3/20 0.33
▸ MGLL Q99685 1/20 0.32
▸ SCN1A P35498 2/20 0.32
▸ SCN8A Q9UQD0 2/20 0.32
▸ PDCD1 Q15116 2/20 0.32
▸ CD274 Q9NZQ7 2/20 0.32
▸ MLNR O43193 1/20 0.31

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
SCHEMBL13044899 0.90 MGLL (0.34) SCN9ALTA4HMGLL
SCHEMBL12763900 0.88 ACACB (0.35) —
SCHEMBL13044897 0.87 BRAF (0.30) —
SCHEMBL12763896 0.87 TRPM8 (0.33) SCN9A
SCHEMBL12763916 0.85 NR1H2 (0.32) SCN9A
SCHEMBL12763919 0.84 F3 (0.34) —
SCHEMBL12763876 0.83 SRD5A2 (0.34) SCN9A
SCHEMBL12763898 0.83 TRPM8 (0.32) —
SCHEMBL11991488 0.83 CYP2C9 (0.35) LTA4H
SCHEMBL12763835 0.82 KDR (0.33) SCN9A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897622-B2 2-amido-5-oxo/thio-benzoic acid derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-01 — — US disclosed
US-7897622-B2 2-amido-5-oxo/thio-benzoic acid derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-01 — — US disclosed
WO-2008019477-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-21 — — WO disclosed
US-20080045516-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-21 — — US disclosed
US-20080045516-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-21 — — 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-20080045516-A1 Viral Polymerase Inhibitors POLR2A, POLR2H, POLR2E SCN9A 2265/4885LTA4H 3584/4885MCHR1 4333/4885

“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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