SCHEMBL2744253

SCHEMBL2744253

C=Cc1cccc2c1CN(C(=O)O[C@@H]1C[C@@H](C(=O)OC)N(C(=O)[C@@H](NC(N)=S)C3CCCCC3)C1)C2

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 2/20 0.32
DPP4 P27487 1/20 0.32
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
CYP19A1 P11511 2/20 0.32
MMP2 P08253 2/20 0.31
ALDH1A1 P00352 1/20 0.31
XIAP P98170 3/20 0.30
BIRC3 Q13489 2/20 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
SCHEMBL2743892 0.89 KLK5 (0.34) CYP19A1
Hydrochloric Acid SCHEMBL2744138 0.89 DPP8 (0.41) DPP8DPP4DPP9DPP7CYP19A1
SCHEMBL8227246 0.81 ABHD6 (0.38) DPP8DPP4DPP9DPP7CYP19A1
SCHEMBL2744148 0.81
SCHEMBL16418965 0.81 ABHD6 (0.34) DPP8DPP9DPP7CYP19A1
Hydrochloric Acid SCHEMBL2743704 0.79 DPP8 (0.47) DPP8DPP4DPP9DPP7
SCHEMBL8060885 0.79 XIAP (0.36) DPP8DPP4DPP9DPP7CYP19A1
SCHEMBL4406308 0.79 DPP4 (0.44) DPP8DPP4DPP9DPP7
SCHEMBL4257147 0.79 DPP4 (0.44) DPP8DPP4DPP9DPP7
SCHEMBL2743903 0.79 DPP8 (0.37) DPP8DPP4DPP9DPP7XIAP

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2027144-B1 MACROCYCLIC COMPOUNDS AS ANTIVIRAL AGENTS MSD ITALIA SRL (IT) 2015-04-29 EP disclosed
US-8178520-B2 Macrocyclic compounds as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2012-05-15 US disclosed
US-20090258891-A1 Macrocyclic Compounds As Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-10-15 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-20090258891-A1 Macrocyclic Compounds As Antiviral Agents ZC3HAV1, HAVCR2, ZC3HAV1L DPP8 884/4885DPP4 515/4885DPP9 797/4885

“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.