SCHEMBL825574

SCHEMBL825574

CC(C)(C)OC(=O)N[C@H](CCc1ccccc1)CC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.58
CTSS P25774 4/20 0.58
ATM Q13315 1/20 0.56
CTSG P08311 1/20 0.50
CTRB1 P17538 1/20 0.50
SYK P43405 1/20 0.50
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
PPARA Q07869 2/20 0.47
PPARG P37231 1/20 0.47
APP P05067 3/20 0.47
ACE P12821 1/20 0.46
KLK5 Q9Y337 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA7 P43166 1/20 0.45
CA14 Q9ULX7 1/20 0.45

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
SCHEMBL3493706 1.00 CTSK (0.58) CTSKCTSSATMCTSGCTRB1
SCHEMBL13636738 0.90 CTSK (0.56) CTSKCTSSATMCTSGCTRB1
SCHEMBL7696221 0.88 CTSK (0.59) CTSKCTSSATMCTSGCTRB1
SCHEMBL3842588 0.88 CTSK (0.59) CTSKCTSSATMCTSGCTRB1
SCHEMBL14338698 0.88 CTSK (0.59) CTSKCTSSATMCTSGCTRB1
SCHEMBL10654828 0.87 ATM (0.46) CTSKCTSSATMCTSGCTRB1
SCHEMBL18653949 0.86 CTSK (0.58) CTSKCTSSATMSYKCTSL
SCHEMBL4727222 0.86 CTSK (0.58) CTSKCTSSATMSYKCTSL
SCHEMBL5760296 0.86 CTSK (0.58) CTSKCTSSATMSYKCTSL
SCHEMBL10657769 0.86 ATM (0.46) CTSKCTSSATMCTSGCTRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4622996-A1 CONTROL OF NANOCAGE SELF-ASSEMBLY King's College London (GB) 2025-10-01 EP disclosed
US-20250206802-A1 MODIFIED INTEGRIN POLYPEPTIDES, MODIFIED INTEGRIN POLYPEPTIDE DIMERS, AND USES THEREOF THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2025-06-26 US disclosed
WO-2024110757-A1 CONTROL OF NANOCAGE SELF-ASSEMBLY KING'S COLLEGE LONDON (GB) 2024-05-30 WO disclosed
US-20240117006-A1 MODIFIED INTEGRIN POLYPEPTIDES, MODIFIED INTEGRIN POLYPEPTIDE DIMERS, AND USES THEREOF THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2024-04-11 US disclosed
US-20220195017-A1 PATHOGEN BINDING METHODS AND COMPOSITIONS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2022-06-23 US disclosed
US-11021709-B2 Lin28/let-7 crystal structures, purification protocols, and molecular probes suitable for screening assays and therapeutics PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-06-01 US disclosed
US-20200362350-A1 LIN28/LET-7 CRYSTAL STRUCTURES, PURIFICATION PROTOCOLS, AND MOLECULAR PROBES SUITABLE FOR SCREENING ASSAYS AND THERAPEUTICS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-11-19 US disclosed
US-10704049-B2 Lin28/let-7 crystal structures, purification protocols, and molecular probes suitable for screening assays and therapeutics PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-07-07 US disclosed
US-20200031900-A1 MODIFIED INTEGRIN POLYPEPTIDES, MODIFIED INTEGRIN POLYPEPTIDE DIMERS, AND USES THEREOF THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2020-01-30 US disclosed
US-10273283-B2 Modified integrin polypeptides, modified integrin polypeptide dimers, and uses thereof THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2019-04-30 US disclosed
US-20130172242-A1 GROWTH HORMONE SECRETATOGUE RECEPTOR ANTAGONISTS AND USES THEREOF MCGILL UNIVERSITY (CA) 2013-07-04 US disclosed
WO-2013071079-A1 LIN28/LET-7 CRYSTAL STRUCTURES, PURIFICATION PROTOCOLS, AND MOLECULAR PROBES SUITABLE FOR SCREENING ASSAYS AND THERAPEUTICS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-05-16 WO disclosed
EP-2582715-A2 GROWTH HORMONE SECRETATOGUE RECEPTOR ANTAGONISTS AND USES THEREOF The Administrators of the Tulane Educational Fund (US) 2013-04-24 EP disclosed
US-20130064895-A1 Amphiphilic Peptides and Peptide Particles PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-03-14 US disclosed
WO-2013028843-A1 PEPTIDE NANOPARTICLES AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-02-28 WO disclosed
WO-2012177986-A2 CONJUGATE-BASED ANTIFUNGAL AND ANTIBACTERIAL PRODRUGS VYOME BIOSCIENCES (IN) 2012-12-27 WO disclosed
WO-2011159917-A2 GROWTH HORMONE SECRETATOGUE RECEPTOR ANTAGONISTS AND USES THEREOF THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2011-12-22 WO disclosed
US-20100034813-A1 SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS NOVARTIS AG (CH) 2010-02-11 US disclosed
WO-2004089362-A1 2-CYANOPYRROLES AND THEIR ANALOGUES AS DDP-IV INHIBITORS NOVO NORDISK A/S (DK) 2004-10-21 WO disclosed
US-6399629-B1 PYRROLIDINES AND PIPERIDINES FOR TREATING MICROBIAL INFECTIONS BY REDUCING EXPORT OF COADMINISTERED ANTIMICROBIAL AGENT OR COMPOUND SYNTHESIZED BY MICROBES FOR THEIR GROWTH; REDUCING IN VIVO AVAILABILITY MICROCIDE PHARMACEUTICALS, INC. 2002-06-04 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 (6 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-20240117006-A1 MODIFIED INTEGRIN POLYPEPTIDES, MODIFIED INTEGRIN POLYPEPTIDE DIMERS, AND USES THEREOF ITGA2B, ITGB1, ITGA1 CTSK 2830/4885CTSS 3462/4885ATM 3383/4885
US-20100034813-A1 SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS CYP3A43, ABCG2, CYP3A7 CTSK 516/4885CTSS 1270/4885ATM 1487/4885
US-10273283-B2 Modified integrin polypeptides, modified integrin polypeptide dimers, and uses thereof ITGA2B, ITGB1, ITGA1 CTSK 2830/4885CTSS 3462/4885ATM 3383/4885
US-20130172242-A1 GROWTH HORMONE SECRETATOGUE RECEPTOR ANTAGONISTS AND USES THEREOF GHSR, GHRHR, GIPR CTSK 3353/4885CTSS 1857/4885ATM 2944/4885
US-20250206802-A1 MODIFIED INTEGRIN POLYPEPTIDES, MODIFIED INTEGRIN POLYPEPTIDE DIMERS, AND USES THEREOF ITGA2B, ITGB1, ITGA1 CTSK 2830/4885CTSS 3462/4885ATM 3383/4885
US-20200031900-A1 MODIFIED INTEGRIN POLYPEPTIDES, MODIFIED INTEGRIN POLYPEPTIDE DIMERS, AND USES THEREOF ITGA2B, ITGB1, ITGA1 CTSK 2830/4885CTSS 3462/4885ATM 3383/4885

“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.