SCHEMBL4936033

SCHEMBL4936033

CCCCCn1c(CC[C@H](NC(=O)OC(C)(C)C)C(=O)OCc2ccccc2)nc2cc(Cl)c(Cl)cc21

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.43
AGTR2 P50052 1/20 0.43
CTSK P43235 5/20 0.42
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
CTSS P25774 1/20 0.39
TP53 P04637 2/20 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
SCHEMBL4936048 1.00 AGTR1 (0.43) AGTR1AGTR2CTSKBCHEACHE
SCHEMBL4933996 0.94 AGTR1 (0.41) AGTR1AGTR2CTSKBCHEACHE
SCHEMBL4933987 0.94 AGTR1 (0.41) AGTR1AGTR2CTSKBCHEACHE
SCHEMBL4928025 0.92 CTSK (0.43) CTSKBCHEACHECTSSTP53
SCHEMBL4935818 0.90 AGTR1 (0.45) AGTR1AGTR2CTSKCTSS
SCHEMBL4935805 0.90 AGTR1 (0.45) AGTR1AGTR2CTSKCTSS
SCHEMBL4930469 0.90 TP53 (0.49) CTSKTP53
SCHEMBL4930481 0.90 TP53 (0.49) CTSKTP53
SCHEMBL4934662 0.89 TP53 (0.49) TP53
SCHEMBL4934667 0.89 TP53 (0.49) TP53

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-20080132539-A1 Hydroxamic Acid Derivative And Age Generation Inhibitor Containing The Derivative KUREHA CORPORATION (JP) 2008-06-05 US disclosed
EP-1707560-A1 HYDROXAMIC ACID DERIVATIVE AND AGE GENERATION INHIBITOR CONTAINING THE DERIVATIVE Kureha Corporation (JP) 2006-10-04 EP 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-20080132539-A1 Hydroxamic Acid Derivative And Age Generation Inhibitor Containing The Derivative HDAC5, HDAC1, HDAC9 AGTR1 377/4885AGTR2 327/4885CTSK 322/4885

“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.