SCHEMBL13770845

SCHEMBL13770845

CC(CC(C)N(C)C)NS(C)(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA4 P43681 1/20 0.31
ACACB O00763 1/20 0.30

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
SCHEMBL13780926 0.83 ALDH1A1 (0.33) ALDH1A1
SCHEMBL23872669 0.77 ALDH1A1 (0.39) ALDH1A1ACACB
SCHEMBL17109066 0.77 ALDH1A1 (0.39) ALDH1A1ACACB
SCHEMBL12204119 0.77 ALDH1A1 (0.39) ALDH1A1ACACB
SCHEMBL13780658 0.70 ALDH1A1 (0.35) ALDH1A1ACACB
SCHEMBL9888693 0.69
SCHEMBL18434131 0.69
SCHEMBL13275294 0.69
SCHEMBL13780115 0.69 CHRNB2 (0.33) CHRNB2CHRNB4CHRNA4
SCHEMBL69456 0.67

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
EP-2231628-B1 INHIBITORS OF CYTOCHROME P450 GILEAD SCIENCES INC (US) 2015-10-28 EP disclosed
US-8759379-B2 Inhibitors of cytochrome P450 GILEAD SCIENCES, INC. (US) 2014-06-24 US disclosed
WO-2009088719-A1 INHIBITORS OF CYTOCHROME P450 GILEAD SCIENCES, INC. (US) 2009-07-16 WO disclosed
US-20090175820-A1 INHIBITORS OF CYTOCHROME P450 GILEAD SCIENCES, INC. (US) 2009-07-09 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-20090175820-A1 INHIBITORS OF CYTOCHROME P450 CYP11B1, CYP11B2, CYP2F1 ALDH1A1 168/4885CHRNB2 2946/4885CHRNB4 3631/4885

“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.