SCHEMBL25827981

SCHEMBL25827981

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 2/20 0.51
FOLH1 Q04609 1/20 0.48
ACE P12821 3/20 0.47
CPA1 P15085 2/20 0.47
MME P08473 1/20 0.47
ACE2 Q9BYF1 1/20 0.47
ESR1 P03372 2/20 0.46
ESR2 Q92731 2/20 0.46
CPA2 P48052 1/20 0.46
CPA4 Q9UI42 1/20 0.46
SLC7A5 Q01650 1/20 0.45
LMNA P02545 1/20 0.45
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
NAALAD2 Q9Y3Q0 1/20 0.44
PAM P19021 1/20 0.44
TACR1 P25103 1/20 0.44
KDM4E B2RXH2 1/20 0.44
F13A1 P00488 1/20 0.44
ACACB O00763 1/20 0.42

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
SCHEMBL14865877 0.85 CTSS (0.60) ACELMNACTSSCTSKPAM
SCHEMBL20079849 0.85 CTSS (0.60) ACELMNACTSSCTSKPAM
SCHEMBL12313515 0.85 ESR1 (0.54) GRIA1FOLH1ACECPA1MME
SCHEMBL5490272 0.85 ESR1 (0.54) GRIA1FOLH1ACECPA1MME
SCHEMBL26778812 0.85 ESR1 (0.54) GRIA1FOLH1ACECPA1MME
SCHEMBL16509238 0.83 FOLH1 (0.47) GRIA1FOLH1ACECPA1MME
Acetyl Tyrosine SCHEMBL1204300 0.83 FOLH1 (0.66) GRIA1FOLH1ACECPA1MME
Acetyl Tyrosine SCHEMBL8977601 0.83 FOLH1 (0.66) GRIA1FOLH1ACECPA1MME
Acetyl Tyrosine SCHEMBL313539 0.83 FOLH1 (0.66) GRIA1FOLH1ACECPA1MME
Acetyl Tyrosine SCHEMBL8977600 0.83 FOLH1 (0.66) GRIA1FOLH1ACECPA1MME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227508-A1 SPLIT INTEIN-BASED SELECTION FOR PEPTIDE BINDERS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-07-20 US disclosed
US-9149541-B2 Tyrosine ligation process NOVARTIS AG (CH) 2015-10-06 US 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-20140141034-A1 TYROSINE LIGATION PROCESS NOVARTIS AG (CH) 2014-05-22 US disclosed
US-20120289682-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions THE SCRIPPS RESEARCH INSTITUTE 2012-11-15 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 (4 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-20230227508-A1 SPLIT INTEIN-BASED SELECTION FOR PEPTIDE BINDERS FURIN, SARS1, BST2 GRIA1 4334/4885FOLH1 919/4885ACE 72/4885
US-20140141034-A1 TYROSINE LIGATION PROCESS ACP1, LTK, TTL GRIA1 948/4885FOLH1 1882/4885ACE 1141/4885
US-20140378668-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions TYR, DNPEP, TH GRIA1 1829/4885FOLH1 1414/4885ACE 270/4885
US-20120289682-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions TYR, DNPEP, TH GRIA1 1829/4885FOLH1 1414/4885ACE 270/4885

“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.