SCHEMBL15424006

SCHEMBL15424006

CN(Cc1cncs1)C(=O)C[C@H]1CCOC1=O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.35
P2RX7 Q99572 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TNKS O95271 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
CYP3A4 P08684 7/20 0.31
LMNA P02545 1/20 0.31
HSD11B1 P28845 1/20 0.31
PDE10A Q9Y233 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL2736288 0.78
SCHEMBL3630277 0.65 MAPK1 (0.36)
SCHEMBL14185450 0.64 TRPM8 (0.37) TRPM8SMN1; SMN2CYP3A4LMNA
SCHEMBL7395135 0.63 CYP3A4 (0.37) TRPM8CYP3A4
SCHEMBL15424007 0.63 CYP3A4 (0.40) TRPM8SMN1; SMN2CYP3A4
SCHEMBL13318192 0.63 TRPM8 (0.36) TRPM8SMN1; SMN2CYP3A4
SCHEMBL11508223 0.63 TP53 (0.38)
SCHEMBL15826794 0.63 CYP3A4 (0.53) CYP3A4
SCHEMBL740847 0.62
SCHEMBL30229409 0.62 KDM4E (0.44) KMT2AKDM4EALDH1A1

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 TRPM8 1938/4885P2RX7 4735/4885SMN1; SMN2 581/4885

“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.