SCHEMBL12019016

SCHEMBL12019016

CCCCCC(C(N)=S)C(N)=S

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.44
CA2 P00918 2/20 0.41
SPHK1 Q9NYA1 2/20 0.41
CA1 P00915 1/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 2/20 0.40
LAP3 P28838 2/20 0.40
GRIK1 P39086 2/20 0.39
GRIK2 Q13002 2/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
CYP2D6 P10635 2/20 0.39
MAPT P10636 2/20 0.39
GMNN O75496 1/20 0.39
POLB P06746 1/20 0.39
THPO P40225 1/20 0.39
MTOR P42345 1/20 0.39
BLM P54132 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL14579036 0.87 GPR84 (0.50) CA2CA1GRIK1GRIK2SLC1A2
SCHEMBL8687358 0.81 CA2 (0.43) OPRM1CA2SPHK1CA1LMNA
SCHEMBL8689590 0.81 CA2 (0.54) OPRM1CA2SPHK1CA1LMNA
Hydrochloric Acid SCHEMBL8688380 0.79 CA2 (0.52) OPRM1CA2SPHK1CA1LMNA
SCHEMBL28400158 0.79 CA2 (0.52) OPRM1CA2SPHK1CA1LMNA
SCHEMBL4886199 0.78 GPR84 (0.50) OPRM1SPHK1LMNATP53LAP3
SCHEMBL8021744 0.78 OPRM1 (0.48) OPRM1SPHK1LMNATP53LAP3
SCHEMBL19032390 0.78 CA1 (0.50) OPRM1SPHK1CA1LMNATP53
SCHEMBL9357538 0.77 CA2 (0.54) OPRM1CA2CA1GRIK1GRIK2
SCHEMBL11144899 0.76 CA1 (0.48) OPRM1SPHK1CA1LMNATP53

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-20120220753-A1 N-Terminal Dimerization Methods with Bis-Amindino Acid and Bis-Thioimidate Derivatives THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE 2012-08-30 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-20120220753-A1 N-Terminal Dimerization Methods with Bis-Amindino Acid and Bis-Thioimidate Derivatives ERBB2, MAX, DNPEP OPRM1 3196/4885CA2 2964/4885SPHK1 4339/4885

“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.