SCHEMBL9965179

SCHEMBL9965179

CCOP(C)(=O)CCN(c1cc(C(C)(C)C)sc1C(=O)OC)C(=O)[C@H]1CC[C@H](C)CC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 1/20 0.35
MAPK14 Q16539 6/20 0.34
RAF1 P04049 13/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPK13 O15264 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
NR1I2 O75469 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
SCHEMBL9965165 0.91 CYP2E1 (0.42) CYP2E1NR1I2
SCHEMBL9961546 0.88 CYP2E1 (0.49) CYP2E1NR1I2
SCHEMBL1440071 0.88 CYP2E1 (0.49) CYP2E1NR1I2
SCHEMBL9965160 0.84 CYP2E1 (0.44) CYP2E1NR1I2
SCHEMBL10265042 0.82 CYP2E1 (0.41) CYP2E1MAPK14RAF1MAPTPKM
SCHEMBL10265034 0.80 CYP2E1 (0.45) CYP2E1MAPK14RAF1MAPTPKM
SCHEMBL9965161 0.79 CYP2E1 (0.45) CYP2E1NR1I2
SCHEMBL9961539 0.79 CYP2E1 (0.59) CYP2E1NR1I2
SCHEMBL1443545 0.79 CYP2E1 (0.59) CYP2E1NR1I2
SCHEMBL9965212 0.78 NR1I2 (0.34) MAPK14RAF1MAPTPKML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120156166-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2012-06-21 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-20120156166-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 CYP2E1 6/4885MAPK14 2109/4885RAF1 1470/4885

“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.