SCHEMBL47716

SCHEMBL47716

CC(=O)N[C@@H](Cc1ccccc1)C(C)=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.65
CTSK P43235 1/20 0.65
PAM P19021 1/20 0.65
CTRB1 P17538 4/20 0.60
TACR1 P25103 1/20 0.58
ALDH1A1 P00352 3/20 0.57
GNPAT O15228 1/20 0.56
LMNA P02545 1/20 0.54
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA3 P07451 1/20 0.53
CA4 P22748 1/20 0.53
CA6 P23280 1/20 0.53
CA5A P35218 1/20 0.53
CA7 P43166 1/20 0.53
CACNA1C Q13936 1/20 0.53
SCN9A Q15858 1/20 0.53

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
SCHEMBL13255164 1.00 CTSS (0.65) CTSSCTSKPAMCTRB1TACR1
SCHEMBL5745614 1.00 CTSS (0.65) CTSSCTSKPAMCTRB1TACR1
SCHEMBL6248471 0.89 CTSS (0.61) CTSSCTSKPAMCTRB1TACR1
SCHEMBL15810860 0.89 CTSS (0.61) CTSSCTSKPAMCTRB1TACR1
SCHEMBL15810862 0.89 CTSS (0.61) CTSSCTSKPAMCTRB1TACR1
SCHEMBL4028404 0.89 ALDH1A1 (0.57) CTSSCTSKPAMCTRB1TACR1
Afalanine SCHEMBL8587729 0.89 CTSS (0.65) CTSSCTSKPAMCTRB1TACR1
Afalanine SCHEMBL158612 0.89 CTSS (0.65) CTSSCTSKPAMCTRB1TACR1
Afalanine SCHEMBL158613 0.89 CTSS (0.65) CTSSCTSKPAMCTRB1TACR1
Afalanine SCHEMBL331330 0.89 CTSS (0.65) CTSSCTSKPAMCTRB1TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4234553-A2 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE Design Therapeutics, Inc. (US) 2023-08-30 EP disclosed
EP-4101297-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES Aerpio Pharmaceuticals, Inc. (US) 2022-12-14 EP disclosed
WO-2021113743-A1 SMALL MOLECULE RPN13 INHIBITORS WITH ANTITUMOR PROPERTIES THE JOHNS HOPKINS UNIVERSITY (US) 2021-06-10 WO disclosed
WO-2020223209-A1 TIE-2 ACTIVATORS TARGETING THE SCHLEMM'S CANAL Aerpio Pharmaceuticals, Inc. (US) 2020-11-05 WO disclosed
EP-3607821-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES Aerpio Therapeutics, Inc. (US) 2020-02-12 EP disclosed
US-20170319602-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR DISEASES EyePoint, Inc. 2017-11-09 US disclosed
US-9440963-B2 Compositions, formulations and methods for treating ocular diseases AERPIO THERAPEUTICS, INC. (US) 2016-09-13 US disclosed
US-20160220540-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES EyePoint Pharmaceuticals, Inc. 2016-08-04 US disclosed
US-20160220541-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES EyePoint Pharmaceuticals, Inc. 2016-08-04 US disclosed
US-9376700-B2 Methods of modifying N-termini of a peptide or protein using transferases THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-06-28 US disclosed
WO-2011150457-A2 HAEMATOPOIETIC-PROSTAGLANDIN D2 SYNTHASE INHIBITORS THE UNIVERSITY OF QUEENSLAND (AU) 2011-12-08 WO disclosed
US-20110130349-A1 Compounds and Methods for Treating Toll-Like Receptor 2-Related Diseases and Conditions EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-06-02 US disclosed
US-20110112100-A1 Hepatitis C Virus Inhibitors PFIZER INC. 2011-05-12 US disclosed
US-7838548-B2 Compounds and methods for treating toll-like receptor 2-related diseases and conditions EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-11-23 US disclosed
US-7622487-B2 Piperidine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-20090186855-A1 COMPOUNDS AND METHODS FOR TREATING TOLL-LIKE RECEPTOR 2-RELATED DISEASES AND CONDITIONS EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-07-23 US disclosed
US-7550501-B2 Compounds and methods for treating toll-like receptor 2-related diseases and conditions EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-23 US disclosed
US-20090018343-A1 Fluorous Oxazolidinone Chiral Auxiliary Compounds and Methods of Manufacture THE UNIVERSITY OF MANITOBA (CA) 2009-01-15 US disclosed
WO-2008022365-A2 COMPOSITIONS FOR INFLUENCING THE EFFECTS OF ORGANOPHOSPHORUS COMPOUNDS AND USE OF GALANTHAMINE, ITS DERIVATIVES AND ANALOGUES FOR PRODUCING SUCH COMPOSITIONS SANOCHEMIA LTD. (MT) 2008-02-28 WO disclosed
US-7202234-B2 Compounds and methods for treating Toll-like receptor 2-related diseases and conditions EISAI CO., LTD. (JP) 2007-04-10 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 (7 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-20160220541-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES TIE1, TEK, KDR CTSS 3152/4885CTSK 2130/4885PAM 4556/4885
US-20170319602-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR DISEASES VEGFA, FLT4, AQP3 CTSS 1339/4885CTSK 630/4885PAM 4233/4885
US-20090018343-A1 Fluorous Oxazolidinone Chiral Auxiliary Compounds and Methods of Manufacture AFF2, FPR2, PFAS CTSS 3306/4885CTSK 3263/4885PAM 2173/4885
US-20090186855-A1 COMPOUNDS AND METHODS FOR TREATING TOLL-LIKE RECEPTOR 2-RELATED DISEASES AND CONDITIONS TLR2, TLR6, TLR3 CTSS 1951/4885CTSK 1659/4885PAM 2408/4885
US-20110112100-A1 Hepatitis C Virus Inhibitors HAVCR2, SLC10A1, HCCS CTSS 875/4885CTSK 1368/4885PAM 4270/4885
US-20160220540-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES TIE1, TEK, KDR CTSS 3152/4885CTSK 2130/4885PAM 4556/4885
US-20110130349-A1 Compounds and Methods for Treating Toll-Like Receptor 2-Related Diseases and Conditions TLR2, TLR6, TLR3 CTSS 1951/4885CTSK 1659/4885PAM 2408/4885

“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.