SCHEMBL17969293

SCHEMBL17969293

CC[C@H](C)[C@H](NC(=O)CC(NC(=O)OCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(C(=O)O)C(C)C

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSD P07339 10/20 0.62
KLK5 Q9Y337 1/20 0.57
REN P00797 3/20 0.55
MME P08473 1/20 0.51
ECE1 P42892 1/20 0.51

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
SCHEMBL17969295 1.00 CTSD (0.62) CTSDKLK5RENMMEECE1
SCHEMBL17969292 1.00 CTSD (0.62) CTSDKLK5RENMMEECE1
SCHEMBL17969294 1.00 CTSD (0.62) CTSDKLK5RENMMEECE1
SCHEMBL17969290 1.00 CTSD (0.62) CTSDKLK5RENMMEECE1
SCHEMBL17770741 0.95 CTSD (0.64) CTSDKLK5REN
SCHEMBL12475208 0.94 CTSD (0.70) CTSDKLK5REN
SCHEMBL17770740 0.92 CTSD (0.65) CTSDKLK5REN
SCHEMBL19696469 0.91 CTSD (0.59) CTSDKLK5REN
SCHEMBL17770751 0.91 CTSD (0.59) CTSDKLK5REN
SCHEMBL19696442 0.91 CTSD (0.56) CTSDKLK5RENMMEECE1

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-9839665-B2 Aminostatin derivatives for the treatment of arthrosis MERCK PATENT GMBH (DE) 2017-12-12 US disclosed
US-20160228493-A1 AMINOSTATIN DERIVATIVES FOR THE TREATMENT OF ARTHROSIS MERCK PATENT GMBH (DE) 2016-08-11 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-20160228493-A1 AMINOSTATIN DERIVATIVES FOR THE TREATMENT OF ARTHROSIS CTSD, CTSB, CTSZ CTSD 1/4885KLK5 496/4885REN 879/4885

“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.