SCHEMBL4745113

SCHEMBL4745113

COC(=O)c1cncc(OC[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.48
PPARA Q07869 2/20 0.48
PPARG P37231 1/20 0.47
KLK7 P49862 2/20 0.42
KLK5 Q9Y337 2/20 0.42
SYK P43405 1/20 0.42
ATM Q13315 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
SIRT3 Q9NTG7 1/20 0.41
GRM5 P41594 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
GFER P55789 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38

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
SCHEMBL4745115 1.00 CTSS (0.48) CTSSPPARAPPARGKLK7KLK5
SCHEMBL6855423 0.87 PPARA (0.50) CTSSPPARAPPARGKLK7KLK5
SCHEMBL6855428 0.87 PPARA (0.50) CTSSPPARAPPARGKLK7KLK5
SCHEMBL4742805 0.83 GRM5 (0.40) CTSSSYKATMSIRT2SIRT1
SCHEMBL4742802 0.83 GRM5 (0.40) CTSSSYKATMSIRT2SIRT1
SCHEMBL4743596 0.82 CTSL (0.49) CTSSSYKATMSIRT2SIRT1
SCHEMBL4743594 0.82 CTSL (0.49) CTSSSYKATMSIRT2SIRT1
SCHEMBL4745255 0.81 GRM5 (0.37) SYKATMSIRT2SIRT1SIRT3
SCHEMBL14005639 0.81 GRM5 (0.37) SYKATMSIRT2SIRT1SIRT3
SCHEMBL4744851 0.81 HDAC3 (0.41) SYKATMGRM5CYP3A4AKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293712-A1 Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof WYETH (US) 2008-11-27 US disclosed
WO-2008109613-A1 BENZO[C][2,7]NAPHTHYRIDINE DERIVATIVES, AND THEIR USE AS KINASE INHIBITORS WYETH (US) 2008-09-12 WO 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-20080293712-A1 Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof PDPK1, PDK2, PDK3 CTSS 2964/4885PPARA 823/4885PPARG 1002/4885

“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.