SCHEMBL12763876

SCHEMBL12763876

CC(=O)c1cnc(Oc2ccc(N(C(=O)[C@H]3CC[C@H](C)CC3)C(C)C)c(C(=O)O)c2)c(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 1/20 0.34
▸ F3 P13726 5/20 0.33
▸ F2 P00734 4/20 0.33
▸ KDR P35968 7/20 0.32
▸ BRAF P15056 6/20 0.32
▸ PTGER4 P35408 3/20 0.32
▸ PTK2 Q05397 1/20 0.31
▸ SCN5A Q14524 1/20 0.30
▸ SCN9A Q15858 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
SCHEMBL12763879 0.92 KDR (0.34) KDRBRAFPTK2SCN5ASCN9A
SCHEMBL12763835 0.89 KDR (0.33) SRD5A2F3F2KDRBRAF
SCHEMBL12763878 0.89 KDR (0.32) SRD5A2F3F2KDRBRAF
SCHEMBL12763894 0.89 CACNA1G (0.33) F3F2KDRBRAFPTGER4
SCHEMBL12763875 0.88 NR1H2 (0.36) F3F2KDRBRAFPTK2
SCHEMBL12763869 0.88 KDR (0.32) SRD5A2F3F2KDRBRAF
SCHEMBL12763896 0.88 TRPM8 (0.33) SRD5A2F3F2KDRBRAF
SCHEMBL12837382 0.87 KDR (0.34) SRD5A2F3F2KDRBRAF
SCHEMBL12763916 0.86 NR1H2 (0.32) SRD5A2F3F2KDRBRAF
SCHEMBL13044901 0.86 MGLL (0.39) F3SCN9A

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 SRD5A2 1559/4885F3 212/4885F2 287/4885

“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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