SCHEMBL13784784

SCHEMBL13784784

NCC(=O)N1CCCC1C(=O)NCC(N)=S

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.44
PREP P48147 3/20 0.44
FAP Q12884 3/20 0.44
DPP8 Q6V1X1 1/20 0.44
DPP9 Q86TI2 1/20 0.44
F2 P00734 6/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
PRSS1 P07477 1/20 0.36
ACE P12821 1/20 0.36

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
SCHEMBL1046070 0.88 DPP4 (0.46) DPP4PREPFAPDPP8DPP9
SCHEMBL1046072 0.88 DPP4 (0.46) DPP4PREPFAPDPP8DPP9
SCHEMBL8564779 0.85 DPP4 (0.46) DPP4PREPFAPDPP8DPP9
SCHEMBL8564777 0.85 DPP4 (0.46) DPP4PREPFAPDPP8DPP9
Hydrochloric Acid SCHEMBL11113477 0.83 DPP4 (0.42) DPP4PREPFAPDPP8DPP9
SCHEMBL29380104 0.83 ACE (0.49) DPP4PREPFAPDPP8DPP9
SCHEMBL29985759 0.83 PREP (0.44) DPP4PREPFAPDPP8DPP9
SCHEMBL29874508 0.83 ACE (0.49) DPP4PREPFAPDPP8DPP9
SCHEMBL18619544 0.82 DPP4 (0.43) DPP4PREPFAPDPP8DPP9
SCHEMBL29349875 0.82 DPP4 (0.43) DPP4PREPFAPDPP8DPP9

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-20090170953-A1 INDENTIFICATION OF COMPOUNDS THAT INHIBIT REPLICATION OF HUMAN IMMUNODEFICIENCY VIRUS TRIPEP AB (SE) 2009-07-02 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-20090170953-A1 INDENTIFICATION OF COMPOUNDS THAT INHIBIT REPLICATION OF HUMAN IMMUNODEFICIENCY VIRUS OGA, ENGASE, GALE DPP4 320/4885PREP 21/4885FAP 1612/4885

“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.