SCHEMBL1345111

SCHEMBL1345111

COCCN=C(N)NCC[C@H](N)C(=O)OCc1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSD P07339 4/20 0.39
P2RX7 Q99572 3/20 0.37
EPHX1 P07099 1/20 0.37
NR3C2 P08235 1/20 0.36
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
DDAH1 O94760 2/20 0.34
PTPN7 P35236 4/20 0.34
DUSP3 P51452 4/20 0.34
RPS6KB1 P23443 1/20 0.34
SCD O00767 1/20 0.34

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
SCHEMBL1345099 0.85 PRKCA (0.41) EPHX1
SCHEMBL1345511 0.84 KDM4E (0.39)
SCHEMBL1344678 0.81 SCNN1A (0.43) DDAH1
SCHEMBL1344939 0.81 SLC1A3 (0.45) DDAH1
SCHEMBL1344948 0.81 POLB (0.45) DDAH1
SCHEMBL1343495 0.80 ALDH1A1 (0.41) DDAH1
SCHEMBL1345053 0.78 FDFT1 (0.42)
SCHEMBL1345420 0.75 DDAH1 (0.47) DDAH1
SCHEMBL1342933 0.74 ADRB2 (0.42)
SCHEMBL1343488 0.74 DDAH1 (0.43) DDAH1

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-1828109-B1 GUANIDINE DERIVATIVES AS INHIBITORS OF DDAH UCL BUSINESS PLC (GB) 2013-06-05 EP disclosed
US-8063104-B2 Guanidine derivatives as inhibitors of DDAH UCL BUSINESS PLC (GB) 2011-11-22 US disclosed
US-20090069331-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF DDAH UCL Biomedica PLC c/o Finance Division University College of London (GB) 2009-03-12 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-20090069331-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF DDAH DDAH1, DOHH, IMPDH1 CTSD 2337/4885P2RX7 3743/4885EPHX1 345/4885

“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.