SCHEMBL12632559

SCHEMBL12632559

CNC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.57
MMP1 P03956 7/20 0.54
MMP9 P14780 3/20 0.54
MMP8 P22894 3/20 0.54
MMP2 P08253 1/20 0.54
MMP3 P08254 1/20 0.53
CTSS P25774 1/20 0.51
CTSK P43235 1/20 0.51
CPA1 P15085 2/20 0.48
CPA2 P48052 1/20 0.48
CPA4 Q9UI42 1/20 0.48
CTSL P07711 1/20 0.48
FOLH1 Q04609 1/20 0.48
TACR1 P25103 1/20 0.47
MME P08473 1/20 0.47
ACE P12821 1/20 0.47
ACE2 Q9BYF1 1/20 0.47
FCER2 P06734 1/20 0.47
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46

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
SCHEMBL25139820 1.00 GRIA1 (0.57) GRIA1MMP1MMP9MMP8MMP2
SCHEMBL24724924 1.00 GRIA1 (0.57) GRIA1MMP1MMP9MMP8MMP2
SCHEMBL16116808 0.89 GRIA1 (0.56) GRIA1MMP9MMP8CTSSCTSK
SCHEMBL6862498 0.87 GRIA1 (0.57) GRIA1MMP1MMP9MMP8MMP2
SCHEMBL13919555 0.87 MMP1 (0.54) MMP1MMP9MMP8MMP2MMP3
SCHEMBL8581074 0.86 GRIA1 (0.60) GRIA1CTSSCTSKCPA1CPA2
SCHEMBL25139715 0.86 MMP1 (0.57) MMP1MMP9MMP8MMP2MMP3
SCHEMBL11522409 0.86 GRIA1 (0.60) GRIA1CTSSCTSKCPA1CPA2
SCHEMBL8671866 0.86 GRIA1 (0.60) GRIA1CTSSCTSKCPA1CPA2
SCHEMBL12641900 0.86 GRIA1 (0.56) GRIA1MMP9MMP8CTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024081302-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF AMINO ACID SIDE CHAINS USING CYCLIC IMINE MANNICH ELECTROPHILES PURDUE RESEARCH FOUNDATION (US) 2024-04-18 WO disclosed
US-20140378668-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions SCRIPPS RESEARCH INST (US) 2014-12-25 US disclosed
US-8765920-B2 Tyrosine bioconjugation through aqueous Ene-like reactions THE SCRIPPS RESEARCH INSTITUTE (US) 2014-07-01 US disclosed
US-20120289682-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions THE SCRIPPS RESEARCH INSTITUTE 2012-11-15 US disclosed
WO-2011079315-A1 TYROSINE BIOCONJUGATION THROUGH AQUEOUS ENE-LIKE REACTIONS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-06-30 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 (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-20140378668-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions TYR, DNPEP, TH GRIA1 1829/4885MMP1 3527/4885MMP9 3836/4885
US-20120289682-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions TYR, DNPEP, TH GRIA1 1829/4885MMP1 3527/4885MMP9 3836/4885

“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.