SCHEMBL14199842

SCHEMBL14199842

CC(C)N[C@@H](CC(N)=O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 4/20 0.50
TGFBR1 P36897 1/20 0.41
ITGB2 P05107 1/20 0.40
ICAM1 P05362 1/20 0.40
ITGAL P20701 1/20 0.40
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
CA2 P00918 2/20 0.38
RAB9A P51151 1/20 0.38
CA1 P00915 1/20 0.38
PDCD1LG2 Q9BQ51 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
FOLH1 Q04609 2/20 0.36
NAALAD2 Q9Y3Q0 2/20 0.36

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
SCHEMBL14179672 1.00 ECE1 (0.50) ECE1TGFBR1ITGB2ICAM1ITGAL
SCHEMBL16750044 1.00 ECE1 (0.50) ECE1TGFBR1ITGB2ICAM1ITGAL
SCHEMBL8601335 0.86 ECE1 (0.47) ECE1TGFBR1ITGB2ICAM1ITGAL
SCHEMBL5155757 0.85 ECE1 (0.49) ECE1TGFBR1ITGB2ICAM1ITGAL
SCHEMBL10610009 0.85 ECE1 (0.49) ECE1TGFBR1ITGB2ICAM1ITGAL
SCHEMBL7351838 0.84 ECE1 (0.46) ECE1ITGB2ICAM1ITGALPDCD1LG2
SCHEMBL7351840 0.84 ECE1 (0.46) ECE1ITGB2ICAM1ITGALPDCD1LG2
SCHEMBL23222804 0.83 ECE1 (0.47) ECE1TGFBR1ITGB2ICAM1ITGAL
SCHEMBL19729229 0.83 ECE1 (0.41) ECE1ITGB2ICAM1ITGALALDH1A1
SCHEMBL14179673 0.82 CA2 (0.42) ALDH1A1MEN1KMT2ALMNACA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240383954-A1 PEPTIDE INHIBITORS OF INTERLEUKIN-23 RECEPTOR AND THEIR USE TO TREAT INFLAMMATORY DISEASES JANSSEN BIOTECH INC (US) 2024-11-21 US claimed
EP-4090669-A1 PEPTIDE INHIBITORS OF INTERLEUKIN-23 RECEPTOR AND THEIR USE TO TREAT INFLAMMATORY DISEASES Janssen Biotech, Inc. (US) 2022-11-23 EP claimed
US-20240383954-A1 PEPTIDE INHIBITORS OF INTERLEUKIN-23 RECEPTOR AND THEIR USE TO TREAT INFLAMMATORY DISEASES JANSSEN BIOTECH INC (US) 2024-11-21 US disclosed
US-12018057-B2 Peptide inhibitors of interleukin-23 receptor and their use to treat inflammatory diseases JANSSEN BIOTECH, INC. (US) 2024-06-25 US disclosed
US-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ NATIONAL INSTITUTES OF HEALTH 2023-05-11 US disclosed
US-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ NATIONAL INSTITUTES OF HEALTH 2023-05-11 US disclosed
US-20220402983-A1 PEPTIDE INHIBITORS OF INTERLEUKIN-23 RECEPTOR AND THEIR USE TO TREAT INFLAMMATORY DISEASES JANSSEN BIOTECH, INC. 2022-12-22 US disclosed
EP-4090669-A1 PEPTIDE INHIBITORS OF INTERLEUKIN-23 RECEPTOR AND THEIR USE TO TREAT INFLAMMATORY DISEASES Janssen Biotech, Inc. (US) 2022-11-23 EP disclosed
US-20180111913-A1 SUBSTITUTED BENZOFURAN DERIVATIVES AS NOVEL ANTIMYCOBACTERIAL AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-04-26 US disclosed
US-20180111913-A1 SUBSTITUTED BENZOFURAN DERIVATIVES AS NOVEL ANTIMYCOBACTERIAL AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-04-26 US disclosed
US-9376418-B2 Substituted pyridine spleen tyrosine kinase (SYK) inhibitors MERCK SHARP & DOHME CORP. (US) 2016-06-28 US disclosed
US-9062028-B2 Bicyclic nitrogen containing heteroaryl TGR5 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2015-06-23 US disclosed
US-20150148327-A1 SUBSTITUTED PYRIDINE SPLEEN TYROSINE KINASE (SYK) INHIBITORS MERCK CANADA INC. (CA) 2015-05-28 US disclosed
US-8778874-B2 Glycopeptide antibiotic monomer derivatives NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-07-15 US disclosed
US-20140080788-A1 NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2014-03-20 US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 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 (8 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-20220402983-A1 PEPTIDE INHIBITORS OF INTERLEUKIN-23 RECEPTOR AND THEIR USE TO TREAT INFLAMMATORY DISEASES IL23R, IL1RN, VIP ECE1 1266/4885TGFBR1 683/4885ITGB2 2436/4885
US-12018057-B2 Peptide inhibitors of interleukin-23 receptor and their use to treat inflammatory diseases IL23R, IL1RN, VIP ECE1 1266/4885TGFBR1 683/4885ITGB2 2436/4885
US-20180111913-A1 SUBSTITUTED BENZOFURAN DERIVATIVES AS NOVEL ANTIMYCOBACTERIAL AGENTS ACAT1, ACAT2, FNTB ECE1 1764/4885TGFBR1 3183/4885ITGB2 4657/4885
US-20240383954-A1 PEPTIDE INHIBITORS OF INTERLEUKIN-23 RECEPTOR AND THEIR USE TO TREAT INFLAMMATORY DISEASES IL23R, IL1RN, VIP ECE1 1266/4885TGFBR1 683/4885ITGB2 2436/4885
US-20140080788-A1 NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS GRK5, GPBAR1, GPR55 ECE1 1458/4885TGFBR1 128/4885ITGB2 4325/4885
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria CSGALNACT1, MON2, NR2C2 ECE1 3835/4885TGFBR1 3067/4885ITGB2 1459/4885
US-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ HAVCR2, CD44, ENGASE ECE1 833/4885TGFBR1 4456/4885ITGB2 1797/4885
US-20150148327-A1 SUBSTITUTED PYRIDINE SPLEEN TYROSINE KINASE (SYK) INHIBITORS SYK, BTK, LYN ECE1 2465/4885TGFBR1 1849/4885ITGB2 3815/4885

“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.