SCHEMBL15967935

SCHEMBL15967935

CC(=O)N[C@@H](C[C@H](O)[C@H](Cc1ccccc1)OC(N)=O)C(Cc1cncs1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.39
CYP3A4 P08684 18/20 0.37

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
SCHEMBL893121 1.00 ACACB (0.39) ACACBCYP3A4
SCHEMBL893582 0.85 SLC6A3 (0.37) CYP3A4
SCHEMBL4247931 0.83 ACACB (0.41) ACACBCYP3A4
SCHEMBL4247930 0.83 ACACB (0.41) ACACBCYP3A4
SCHEMBL893583 0.78 GPR142 (0.43) CYP3A4
SCHEMBL14119112 0.76 CYP3A4 (0.43) CYP3A4
SCHEMBL9943573 0.73 CTRB1 (0.44) ACACBCYP3A4
SCHEMBL9943572 0.73 CTRB1 (0.44) ACACBCYP3A4
SCHEMBL9943574 0.73 CTRB1 (0.44) ACACBCYP3A4
SCHEMBL4252268 0.72 CYP3A4 (0.36) 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 1 patent. 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

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-20140243340-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF CYP3A43, CYP3A5, POR ACACB 1446/4885CYP3A4 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.