SCHEMBL12763879

SCHEMBL12763879

COC(=O)c1cc(Oc2ncc(C(C)=O)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 11)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 13/20 0.34
▸ BRAF P15056 9/20 0.34
▸ PTK2 Q05397 1/20 0.33
▸ SCN9A Q15858 2/20 0.33
▸ SCN5A Q14524 1/20 0.33
▸ KMT2A Q03164 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ TAS1R3 Q7RTX0 1/20 0.31
▸ TAS1R1 Q7RTX1 1/20 0.31
▸ TAS1R2 Q8TE23 1/20 0.31
▸ NR1H2 P55055 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
SCHEMBL12763876 0.92 SRD5A2 (0.34) KDRBRAFPTK2SCN9ASCN5A
SCHEMBL12763836 0.90 KDR (0.34) KDRBRAFSCN9ASCN5AKMT2A
SCHEMBL12763872 0.90 KDR (0.34) KDRBRAFSCN9ASCN5AKMT2A
SCHEMBL12763873 0.88 KDR (0.34) KDRBRAFKMT2AATM
SCHEMBL12763883 0.88 KDR (0.34) KDRBRAFSCN9ASCN5AKMT2A
SCHEMBL12763888 0.88 KDR (0.34) KDRBRAFSCN9ASCN5AKMT2A
SCHEMBL12763892 0.88 KDR (0.33) KDRBRAFSCN9ASCN5AKMT2A
SCHEMBL12763887 0.88 KDR (0.34) KDRBRAFSCN9ASCN5AKMT2A
SCHEMBL13044794 0.88 PTK2 (0.33) KDRBRAFPTK2SCN9ATAS1R3
SCHEMBL12763884 0.87 SMN1; SMN2 (0.35) KDRBRAFPTK2SCN9A

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 2617/4885PTK2 4598/4885

“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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