SCHEMBL13780658

SCHEMBL13780658

CC(CCN(C)C)NS(C)(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
UTS2R Q9UKP6 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
ACACB O00763 1/20 0.30
CA12 O43570 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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
SCHEMBL13780929 0.83 ALDH1A1 (0.33) ALDH1A1
SCHEMBL15218403 0.75 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2ACACBCA12CA2
SCHEMBL15218404 0.75 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2ACACBCA12CA2
SCHEMBL16907684 0.73 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2ACACBCA12CA2
SCHEMBL9888689 0.71 ADH1B (0.41) ALDH1A1SMN1; SMN2ACACBCA12CA2
SCHEMBL9888750 0.71 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2ACACBCA12CA2
SCHEMBL21789783 0.71 ADH1B (0.41) ALDH1A1SMN1; SMN2ACACBCA12CA2
SCHEMBL13770845 0.70 ALDH1A1 (0.35) ALDH1A1ACACB
SCHEMBL15218449 0.70 ADH1B (0.48) ALDH1A1SMN1; SMN2ACACBCA12CA2
SCHEMBL18434131 0.69

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 3 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
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 168/4885UTS2R 2661/4885SMN1; SMN2 3359/4885

“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.