SCHEMBL12763836

SCHEMBL12763836

COC(=O)c1cc(Oc2ncc(I)cc2C(F)(F)F)ccc1N(C(=O)[C@H]1CC[C@H](C)CC1)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 14/20 0.34
▸ BRAF P15056 9/20 0.34
▸ OPRK1 P41145 2/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ SCN9A Q15858 2/20 0.32
▸ SCN5A Q14524 1/20 0.32

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
SCHEMBL12763835 0.92 KDR (0.33) KDRBRAFSCN9A
SCHEMBL11991522 0.92 ABL1 (0.33) KDRBRAFOPRK1KMT2AATM
SCHEMBL11991580 0.91 KDR (0.33) KDRBRAFOPRK1KMT2AATM
SCHEMBL13815443 0.91 KDR (0.33) KDRBRAFOPRK1KMT2AATM
SCHEMBL12763872 0.91 KDR (0.34) KDRBRAFKMT2AATMSCN9A
SCHEMBL12763879 0.90 KDR (0.34) KDRBRAFKMT2AATMSCN9A
SCHEMBL12763888 0.89 KDR (0.34) KDRBRAFKMT2AATMSCN9A
SCHEMBL12763873 0.89 KDR (0.34) KDRBRAFOPRK1KMT2AATM
SCHEMBL12763883 0.89 KDR (0.34) KDRBRAFKMT2AATMSCN9A
SCHEMBL12763887 0.88 KDR (0.34) KDRBRAFKMT2AATMSCN9A

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 KDR 3485/4885BRAF 2617/4885OPRK1 1218/4885

“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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