SCHEMBL2013830

SCHEMBL2013830

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

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.62
TAAR1 Q96RJ0 3/20 0.53
SLC6A2 P23975 1/20 0.53
LNPEP Q9UIQ6 3/20 0.51
ERAP2 Q6P179 2/20 0.51
YARS1 P54577 2/20 0.51
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
MMP2 P08253 1/20 0.50
BACE1 P56817 2/20 0.49
CSK P41240 1/20 0.49

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
SCHEMBL30708085 1.00 SLC7A5 (0.62) SLC7A5TAAR1SLC6A2LNPEPERAP2
SCHEMBL2017291 1.00 SLC7A5 (0.62) SLC7A5TAAR1SLC6A2LNPEPERAP2
Hydrochloric Acid SCHEMBL5188417 0.98 SLC7A5 (0.61) SLC7A5TAAR1SLC6A2LNPEPERAP2
Hydrochloric Acid SCHEMBL5187514 0.98 SLC7A5 (0.61) SLC7A5TAAR1SLC6A2LNPEPERAP2
Hydrochloric Acid SCHEMBL10349711 0.98 SLC7A5 (0.61) SLC7A5TAAR1SLC6A2LNPEPERAP2
SCHEMBL7275549 0.86 CSK (0.49) SLC7A5LNPEPERAP2CSK
SCHEMBL21410883 0.86 CSK (0.49) SLC7A5CSK
SCHEMBL21410884 0.86 CSK (0.49) SLC7A5CSK
SCHEMBL7275544 0.86 CSK (0.49) SLC7A5LNPEPERAP2CSK
SCHEMBL12323415 0.86 CSK (0.49) SLC7A5CSK

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 76 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2895482-A1 HIV PROTEASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-07-22 EP claimed
US-20140378668-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions SCRIPPS RESEARCH INST (US) 2014-12-25 US claimed
WO-2014043019-A1 HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-03-20 WO claimed
US-20120289682-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions THE SCRIPPS RESEARCH INSTITUTE 2012-11-15 US claimed
EP-2515914-A1 TYROSINE BIOCONJUGATION THROUGH AQUEOUS ENE-LIKE REACTIONS The Scripps Research Institute (US) 2012-10-31 EP claimed
WO-2011079315-A1 TYROSINE BIOCONJUGATION THROUGH AQUEOUS ENE-LIKE REACTIONS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-06-30 WO claimed
US-6486193-B2 ANTIARTHRITIC AGENTS; ANTIINFLAMMATORY AGENTS AVENTIS PHARMACEUTICALS INC. 2002-11-26 US claimed
US-20020037859-A1 3-substituted pyrrolidines useful as inhibitors of matrix metalloproteinases AVENTISUB INC. 2002-03-28 US claimed
EP-0126974-B1 CARBOXYALKYL PEPTIDE DERIVATIVES G.D. Searle & Co. (US) 1988-06-15 EP claimed
EP-4494698-A2 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF Takeda Pharmaceutical Company Limited (JP) 2025-01-22 EP disclosed
EP-3661922-B1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2024-10-23 EP disclosed
WO-2024147125-A1 CYCLOBUTYL-SUBSTITUTED PHENOXY-DIOXETANES AND USES THEREOF RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2024-07-11 WO disclosed
US-20240199602-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-06-20 US disclosed
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
EP-0498665-A1 Hydroxamic acids derivatives, process for their preparation and use thereof BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1992-08-12 EP disclosed
EP-0159396-B1 CARBOXYALKYL PEPTIDE DERIVATIVES G.D. Searle & Co. (US) 1990-06-27 EP disclosed
US-4681966-A ANTIARTHRITIC AGENTS G. D. SEARLE & CO. (US) 1987-07-21 US disclosed
EP-0185380-A2 Thiol based collagenase inhibitors G.D. Searle & Co. (US) 1986-06-25 EP disclosed
US-4595700-A Thiol based collagenase inhibitors G. D. SEARLE & CO. (US) 1986-06-17 US disclosed
US-4276288-A Dehydrooligopeptides, their production and their medicinal use TROPONWERKE GMBH & CO., KG (DE) 1981-06-30 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-20240199602-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF KLKB1, KLK1, KLK5 SLC7A5 3109/4885TAAR1 3136/4885SLC6A2 3326/4885
US-20140378668-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions TYR, DNPEP, TH SLC7A5 580/4885TAAR1 2026/4885SLC6A2 1848/4885
US-20120289682-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions TYR, DNPEP, TH SLC7A5 580/4885TAAR1 2026/4885SLC6A2 1848/4885
US-20020037859-A1 3-substituted pyrrolidines useful as inhibitors of matrix metalloproteinases MMP3, MMP1, MMP9 SLC7A5 2741/4885TAAR1 3584/4885SLC6A2 4350/4885

“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.