SCHEMBL893464

SCHEMBL893464

CC(C)CN(C(=O)OCc1cncs1)C([C@H](O)[C@H](Cc1ccccc1)NC(=O)O)C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 20/20 0.48

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
SCHEMBL893882 0.92 CYP3A4 (0.46) CYP3A4
SCHEMBL893752 0.92 CYP3A4 (0.46) CYP3A4
SCHEMBL14118784 0.84 CYP3A4 (0.44) CYP3A4
SCHEMBL15967983 0.83 CYP3A4 (0.48) CYP3A4
SCHEMBL4960043 0.82 CYP3A4 (0.63) CYP3A4
SCHEMBL4960048 0.82 CYP3A4 (0.63) CYP3A4
SCHEMBL892825 0.78 CYP3A4 (0.51) CYP3A4
SCHEMBL892823 0.77 CYP3A4 (0.51) CYP3A4
SCHEMBL4959571 0.76 CYP3A4 (0.56) CYP3A4
SCHEMBL4959397 0.76 CYP3A4 (0.56) CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243340-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF ABBVIE INC. (US) 2014-08-28 US disclosed
US-20120083490-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2012-04-05 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-20120083490-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF CYP3A43, CYP3A5, POR CYP3A4 8/4885
US-20140243340-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF CYP3A43, CYP3A5, POR CYP3A4 8/4885

“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.