SCHEMBL12763906

SCHEMBL12763906

CC(C)N(c1ccc(Oc2ncc(CNS(=O)(=O)C3CC3)cc2C(F)(F)F)cc1C(=O)O)C(=O)[C@H]1CC[C@H](C)CC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 5/20 0.31
▸ RAF1 P04049 1/20 0.31
▸ KDR P35968 6/20 0.31
▸ SCN9A Q15858 1/20 0.31
▸ CDK1 P06493 2/20 0.30
▸ CDK2 P24941 2/20 0.30
▸ CDK4 P11802 1/20 0.30
▸ PTGES O14684 1/20 0.30
▸ TRPM8 Q7Z2W7 1/20 0.30
▸ KDM4C Q9H3R0 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
SCHEMBL12763896 0.88 TRPM8 (0.33) BRAFRAF1KDRSCN9ATRPM8
SCHEMBL12763916 0.88 NR1H2 (0.32) BRAFRAF1KDRSCN9ATRPM8
SCHEMBL12763911 0.87 CSF1R (0.33) BRAFRAF1KDRKDM4C
SCHEMBL12763912 0.87 KDR (0.32) BRAFRAF1KDRSCN9ATRPM8
SCHEMBL12763897 0.86 BRAF (0.34) BRAFRAF1KDRKDM4C
SCHEMBL12763919 0.85 F3 (0.34) BRAFRAF1KDRTRPM8
SCHEMBL13044897 0.84 BRAF (0.30) BRAFKDR
SCHEMBL12763869 0.84 KDR (0.32) BRAFKDR
SCHEMBL12763875 0.84 NR1H2 (0.36) BRAFKDRSCN9ATRPM8
SCHEMBL12763835 0.84 KDR (0.33) BRAFKDRSCN9AKDM4C

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 BRAF 2617/4885RAF1 1637/4885KDR 3485/4885

“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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