SCHEMBL24765349

SCHEMBL24765349

CC(C)(C)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 4/20 0.53
▸ CTSL P07711 2/20 0.53
▸ CTSB P07858 2/20 0.53
▸ ACE P12821 3/20 0.50
▸ CTSK P43235 2/20 0.49
▸ MME P08473 5/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ HPGD P15428 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ ECE1 P42892 1/20 0.49
▸ BLM P54132 1/20 0.49
▸ NPEPPS P55786 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ OPRD1 P41143 5/20 0.48
▸ OPRM1 P35372 4/20 0.48
▸ OPRK1 P41145 1/20 0.48

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
SCHEMBL24765350 1.00 CTSS (0.53) CTSSCTSLCTSBACECTSK
SCHEMBL25760226 0.88 CTSS (0.49) CTSSCTSLCTSBCTSKOPRD1
SCHEMBL10777707 0.86 CTSS (0.54) CTSSCTSLCTSBACECTSK
SCHEMBL25335274 0.85 ACE (0.56) ACEMMEECE1KMT2A
SCHEMBL24764553 0.84 CTSB (0.54) CTSSCTSLCTSBACEMME
SCHEMBL24765225 0.84 CTSB (0.54) CTSSCTSLCTSBACEMME
SCHEMBL24765356 0.83 ACE (0.51) CTSBACEMMEECE1KMT2A
SCHEMBL24765340 0.83 ACE (0.51) CTSBACEMMEECE1KMT2A
SCHEMBL20030538 0.83 CTSS (0.63) CTSSCTSLCTSBACECTSK
SCHEMBL20216484 0.83 CTSS (0.63) CTSSCTSLCTSBACECTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220387610-A1 PEPTIDE-CONJUGATED PRODRUGS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-12-08 — — 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-20220387610-A1 PEPTIDE-CONJUGATED PRODRUGS VIP, DNPEP, PEPD CTSS 198/4885CTSL 14/4885CTSB 104/4885

“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.

Send feedback