SCHEMBL15424007

SCHEMBL15424007

CN(Cc1cncs1)C(=O)C[C@@H](CCO)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 16/20 0.40
TRPM8 Q7Z2W7 1/20 0.37
TDP1 Q9NUW8 1/20 0.34
CYP2D6 P10635 4/20 0.33
CYP2C9 P11712 3/20 0.33
CYP2C19 P33261 2/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL15424005 0.80 CYP3A4 (0.40) CYP3A4TRPM8CYP2D6CYP2C9CYP2C19
SCHEMBL7395135 0.78 CYP3A4 (0.37) CYP3A4TRPM8TDP1CYP2D6CYP2C9
SCHEMBL2736286 0.77 CYP3A4 (0.52) CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2736265 0.69 CYP3A4 (0.56) CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL18893485 0.68 CYP3A4 (0.50) CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL14185450 0.66 TRPM8 (0.37) CYP3A4TRPM8TDP1RAB9ANPC1
SCHEMBL13780660 0.64 CYP3A4 (0.53) CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL740847 0.64
SCHEMBL12249508 0.64 CYP3A4 (0.47) CYP3A4CYP2D6
SCHEMBL15424006 0.63 TRPM8 (0.35) CYP3A4TRPM8SMN1; SMN2

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-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 160/4885TRPM8 1938/4885TDP1 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.