SCHEMBL15424010

SCHEMBL15424010

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

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 19/20 0.56
CYP2D6 P10635 4/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 1/20 0.44
CYP2C9 P11712 1/20 0.43

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
SCHEMBL18715718 0.79 CYP3A4 (0.56) CYP3A4CYP2D6TDP1CYP1A2CYP2C19
SCHEMBL10067531 0.78 CYP3A4 (0.66) CYP3A4
SCHEMBL893771 0.78 TDP1 (0.51) CYP3A4CYP2D6TDP1CYP1A2CYP2C19
SCHEMBL2736188 0.78 CYP3A4 (0.66) CYP3A4
SCHEMBL18715783 0.78 CYP3A4 (0.66) CYP3A4
SCHEMBL2736231 0.78 CYP3A4 (0.66) CYP3A4
SCHEMBL2736215 0.77 CYP3A4 (0.59) CYP3A4CYP2D6CYP1A2CYP2C19CYP2C9
SCHEMBL893563 0.76 CYP3A4 (0.49) CYP3A4TDP1
SCHEMBL14124342 0.76 TDP1 (0.54) CYP3A4TDP1
SCHEMBL19861613 0.75 CYP3A4 (0.58) CYP3A4CYP2D6

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-20140017199-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. 2014-01-16 US disclosed
US-20140017199-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. 2014-01-16 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-20140017199-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, SLC26A4 CYP3A4 160/4885CYP2D6 105/4885TDP1 3285/4885

“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.