SCHEMBL12306142

SCHEMBL12306142

CC(C)OC(=O)c1ncc(Cc2ccc(F)cc2)c(Br)c1N(C[C@@H]1COC(C)(C)O1)C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.33
FPR2 P25090 1/20 0.32
SCN9A Q15858 1/20 0.32
USP30 Q70CQ3 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
SCHEMBL12359094 1.00 NPSR1 (0.33) NPSR1FPR2SCN9AUSP30
SCHEMBL13536981 1.00 NPSR1 (0.33) NPSR1FPR2SCN9AUSP30
SCHEMBL12359315 0.93 NPSR1 (0.33) NPSR1USP30
SCHEMBL12359096 0.86 NPSR1 (0.33) NPSR1FPR2SCN9A
SCHEMBL12333624 0.86 NPSR1 (0.33) NPSR1FPR2SCN9A
SCHEMBL348546 0.85 NPSR1 (0.33) NPSR1FPR2SCN9AUSP30
SCHEMBL12318935 0.82 NPSR1 (0.37) NPSR1
SCHEMBL12373151 0.81 NPSR1 (0.39) NPSR1FPR2SCN9A
SCHEMBL12359025 0.80 NPSR1 (0.36) NPSR1
SCHEMBL12306140 0.79 NPSR1 (0.39) NPSR1FPR2SCN9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110223131-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-09-15 US disclosed
US-20110223131-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-09-15 US disclosed
US-7998950-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2011-08-16 US disclosed
US-20100022508-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-01-28 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 (2 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-20110223131-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 NPSR1 4462/4885FPR2 4293/4885SCN9A 4474/4885
US-20100022508-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 NPSR1 4462/4885FPR2 4293/4885SCN9A 4474/4885

“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.