SCHEMBL1108336

SCHEMBL1108336

CC(C)(C)OC(=O)NC(Cc1ccc(N)c(I)c1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.56
ITGB3 P05106 2/20 0.53
ITGA2B P08514 2/20 0.53
PTPN1 P18031 1/20 0.51
ITGB1 P05556 1/20 0.49
ITGAV P06756 1/20 0.49
ITGB5 P18084 1/20 0.49
CTSS P25774 9/20 0.48
CTSK P43235 8/20 0.48
CTSB P07858 4/20 0.48
PPARA Q07869 5/20 0.48
PPARG P37231 4/20 0.48
PPARD Q03181 2/20 0.47
FOLH1 Q04609 1/20 0.46
CTSL P07711 1/20 0.46
ITGA4 P13612 1/20 0.46
ITGB7 P26010 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
SCHEMBL15314362 1.00 ACE (0.56) ACEITGB3ITGA2BPTPN1ITGB1
SCHEMBL12227758 1.00 ACE (0.56) ACEITGB3ITGA2BPTPN1ITGB1
SCHEMBL21639310 0.89 ACE (0.59) ACEITGB3ITGA2BPTPN1ITGB1
SCHEMBL21639309 0.89 ACE (0.59) ACEITGB3ITGA2BPTPN1ITGB1
SCHEMBL21639447 0.87 ACE (0.57) ACEITGB3ITGA2BPTPN1ITGB1
SCHEMBL21639446 0.87 ACE (0.57) ACEITGB3ITGA2BPTPN1ITGB1
SCHEMBL24489644 0.87 FOLH1 (0.62) ACEITGB3ITGA2BPTPN1ITGB1
SCHEMBL4652047 0.87 FOLH1 (0.62) ACEITGB3ITGA2BPTPN1ITGB1
SCHEMBL17580391 0.87 ACE (0.57) ACEITGB3ITGA2BPTPN1ITGB1
SCHEMBL4651293 0.87 FOLH1 (0.62) ACEITGB3ITGA2BPTPN1ITGB1

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
CN-116891437-A Amino acid derivative, pharmaceutical composition, preparation method and application thereof 长春金赛药业有限责任公司 2023-10-17 CN disclosed
US-9586988-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides AMBRX, INC. (US) 2017-03-07 US disclosed
US-8153758-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides AMBRX, INC. (US) 2012-04-10 US disclosed
US-20080317670-A1 Compositions Containing, Methods Involving, and Uses of Non-Natural Amino Acids and Polypeptides AMBRX, INC. (US) 2008-12-25 US disclosed
US-20080194459-A1 Non-natural amino acid polypeptides and modified non-natural amino acid polypeptides, therapeutic, diagnostic, and other biotechnology uses AMBRX, INC. (US) 2008-08-14 US disclosed
US-20080187491-A1 For diagnosis, genetic engineering; post-translation modification AMBRX, INC. (US) 2008-08-07 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 (3 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-20080317670-A1 Compositions Containing, Methods Involving, and Uses of Non-Natural Amino Acids and Polypeptides PTMS, DNPEP, ANPEP ACE 1073/4885ITGB3 1780/4885ITGA2B 2020/4885
US-20080187491-A1 For diagnosis, genetic engineering; post-translation modification PTMS, ANPEP, AADAT ACE 984/4885ITGB3 2447/4885ITGA2B 2645/4885
US-20080194459-A1 Non-natural amino acid polypeptides and modified non-natural amino acid polypeptides, therapeutic, diagnostic, and other biotechnology uses DNPEP, ANPEP, PTMS ACE 641/4885ITGB3 2010/4885ITGA2B 1811/4885

“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.