SCHEMBL1676925

SCHEMBL1676925

CC(C)(C)OC(=O)[C@@H](N)Cc1ccc(-c2cccnc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 8/20 0.47
MKNK2 Q9HBH9 8/20 0.47
CYP2A6 P11509 1/20 0.47
KIF11 P52732 1/20 0.43
NAAA Q02083 1/20 0.43
GPR119 Q8TDV5 1/20 0.42
MMP12 P39900 1/20 0.41
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40
PRSS1 P07477 1/20 0.40
IDO1 P14902 1/20 0.40
BRS3 P32247 1/20 0.40
PSMB5 P28074 1/20 0.40

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
SCHEMBL1676927 1.00 MKNK1 (0.47) MKNK1MKNK2CYP2A6KIF11NAAA
SCHEMBL539487 0.86 MKNK1 (0.50) MKNK1MKNK2CYP2A6NAAAMMP12
SCHEMBL25318441 0.86 SLC7A5 (0.46)
SCHEMBL30476014 0.86 SLC7A5 (0.46)
Hydrochloric Acid SCHEMBL539486 0.85 MKNK1 (0.49) MKNK1MKNK2CYP2A6NAAAMMP12
Hydrochloric Acid SCHEMBL539488 0.85 MKNK1 (0.49) MKNK1MKNK2CYP2A6NAAAMMP12
Hydrochloric Acid SCHEMBL27782845 0.84 SRR (0.51)
SCHEMBL7337394 0.81 ACACB (0.56)
SCHEMBL7337381 0.81 ACACB (0.56)
SCHEMBL1676744 0.81 MKNK1 (0.45) MKNK1MKNK2CYP2A6NAAAMMP12

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-20110098477-A1 Method Of Producing Compound Having Anti-Hcv Activity CHUGAI SEIYAKU KABUSHIKI KAISHA 2011-04-28 US disclosed
US-20110098477-A1 Method Of Producing Compound Having Anti-Hcv Activity CHUGAI SEIYAKU KABUSHIKI KAISHA 2011-04-28 US disclosed
US-20110098477-A1 Method Of Producing Compound Having Anti-Hcv Activity CHUGAI SEIYAKU KABUSHIKI KAISHA 2011-04-28 US disclosed
EP-1908846-A1 METHOD OF PRODUCING COMPOUND HAVING ANTI-HCV ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-04-09 EP 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-20110098477-A1 Method Of Producing Compound Having Anti-Hcv Activity ERG28, HCCS, BCAT2 MKNK1 2163/4885MKNK2 2897/4885CYP2A6 489/4885

“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.