SCHEMBL30531002

SCHEMBL30531002

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNPAT O15228 1/20 0.62
CA1 P00915 3/20 0.55
CA2 P00918 3/20 0.55
PAX8 Q06710 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
CTSS P25774 4/20 0.53
CTSK P43235 3/20 0.53
CTSL P07711 1/20 0.53
CTSB P07858 1/20 0.53
MMP1 P03956 1/20 0.51
MMP3 P08254 1/20 0.51
MMP9 P14780 1/20 0.51
PSMB8 P28062 1/20 0.51
PSMB9 P28065 1/20 0.51
PSMB5 P28074 1/20 0.51
PTPN1 P18031 2/20 0.50
AKT1 P31749 1/20 0.50
PTPN2 P17706 1/20 0.50
ACE P12821 1/20 0.49
FOLH1 Q04609 2/20 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
SCHEMBL17254239 0.91 CTSK (0.55) GNPATPAX8TDP1CTSSCTSK
SCHEMBL7850315 0.91 CTSK (0.62) GNPATPAX8TDP1CTSSCTSK
SCHEMBL20838286 0.90 FOLH1 (0.57) GNPATPAX8TDP1CTSSCTSK
SCHEMBL20838288 0.90 FOLH1 (0.57) GNPATPAX8TDP1CTSSCTSK
SCHEMBL22424958 0.90 PAX8 (0.54) GNPATPAX8TDP1CTSSCTSK
SCHEMBL16908988 0.90 ACE (0.59) CA1CA2PAX8TDP1CTSS
SCHEMBL13702233 0.90 ACE (0.59) CA1CA2PAX8TDP1CTSS
SCHEMBL17039853 0.89 FOLH1 (0.57) PAX8TDP1CTSSCTSKCTSL
SCHEMBL13956678 0.89 PAX8 (0.52) GNPATCA1CA2PAX8TDP1
SCHEMBL17254230 0.89 PAX8 (0.53) GNPATCA1CA2PAX8TDP1

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-12576166-B2 Contrast agents for detection of enzyme activities based on melanin synthesis BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2026-03-17 US disclosed
US-20230248849-A1 CONTRAST AGENTS FOR DETECTION OF ENZYME ACTIVITIES BASED ON MELANIN SYNTHESIS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-08-10 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 (2 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-12576166-B2 Contrast agents for detection of enzyme activities based on melanin synthesis TYR, MPO, LNPEP GNPAT 1708/4885CA1 796/4885CA2 890/4885
US-20230248849-A1 CONTRAST AGENTS FOR DETECTION OF ENZYME ACTIVITIES BASED ON MELANIN SYNTHESIS TYR, MPO, RNASE1 GNPAT 1013/4885CA1 262/4885CA2 463/4885

“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.