SCHEMBL13044759

SCHEMBL13044759

CC(C)N(C(=O)c1ccc(Br)cc1)c1cc(F)c(Oc2ncc(Cn3nccn3)cc2C(F)(F)F)cc1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 1/20 0.34
▸ PTGER1 P34995 4/20 0.33
▸ GPBAR1 Q8TDU6 2/20 0.32
▸ F3 P13726 6/20 0.31
▸ TRPM8 Q7Z2W7 2/20 0.31
▸ F2 P00734 3/20 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
SCHEMBL13044776 0.93 HDAC8 (0.33) HDAC8GPBAR1F3TRPM8SCN9A
SCHEMBL13044775 0.93 GAA (0.34) HDAC8GPBAR1F3F2SCN9A
SCHEMBL13044761 0.92 PTGER1 (0.32) PTGER1SCN9A
SCHEMBL11991527 0.92 PTGER1 (0.31) PTGER1
SCHEMBL11922602 0.85 SCN9A (0.32) GPBAR1TRPM8SCN9A
SCHEMBL11922631 0.85 GRM2 (0.30) —
SCHEMBL11991526 0.85 HSD17B10 (0.30) —
SCHEMBL13044786 0.82 MDM2 (0.32) SCN9A
SCHEMBL13044830 0.82 MDM2 (0.31) SCN9A
SCHEMBL13044741 0.82 MDM2 (0.32) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286131-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-11 — — US disclosed
US-20100286131-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-11 — — US disclosed
WO-2009018656-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-12 — — WO 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-20100286131-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2B HDAC8 2920/4885PTGER1 1030/4885GPBAR1 1664/4885

“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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