SCHEMBL7102789

SCHEMBL7102789

COC(=O)[C@H](Cc1ccc(O)c(N)c1)NC(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 1/20 0.52
LCK P06239 1/20 0.51
LNPEP Q9UIQ6 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
GFER P55789 1/20 0.48
CTSS P25774 10/20 0.47
CTSK P43235 9/20 0.47
CTSB P07858 4/20 0.46
ACE P12821 1/20 0.45
CTSL P07711 2/20 0.44

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
SCHEMBL20529400 1.00 KLK5 (0.52) KLK5LCKLNPEPALDH1A1GAA
SCHEMBL3816383 0.91 CYP1A2 (0.48) KLK5ALDH1A1GAAGFERCTSS
SCHEMBL7160906 0.91 CYP1A2 (0.48) KLK5ALDH1A1GAAGFERCTSS
SCHEMBL24065192 0.90 LNPEP (0.56) KLK5LCKLNPEPCTSSCTSK
SCHEMBL16972916 0.89 ACE (0.57) CTSSCTSKCTSBACE
SCHEMBL16972918 0.89 ACE (0.57) CTSSCTSKCTSBACE
SCHEMBL3013717 0.89 LCK (0.64) KLK5LCKCTSSCTSKCTSB
SCHEMBL3013721 0.89 LCK (0.64) KLK5LCKCTSSCTSKCTSB
SCHEMBL7164557 0.87 PPARA (0.51) KLK5CTSSCTSKCTSBACE
SCHEMBL8300244 0.87 KLK5 (0.53) KLK5LCKCTSSCTSKCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230010108-A1 A CONJUGATION LINKER CONTAINING 2,3-DIAMINOSUCCINYL GROUP HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-01-12 US disclosed
US-20230010108-A1 A CONJUGATION LINKER CONTAINING 2,3-DIAMINOSUCCINYL GROUP HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-01-12 US disclosed
US-20230001001-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-01-05 US disclosed
US-20230001001-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-01-05 US disclosed
US-20210393790-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE HANGZHOU DAC BIOTECH CO., LTD. (CN) 2021-12-23 US disclosed
US-20210393790-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE HANGZHOU DAC BIOTECH CO., LTD. (CN) 2021-12-23 US disclosed
US-20210369855-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE HANGZHOU DAC BIOTECH CO., LTD. (CN) 2021-12-02 US disclosed
US-20210369855-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE HANGZHOU DAC BIOTECH CO., LTD. (CN) 2021-12-02 US disclosed
US-20200069814-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE HANGZHOU DAC BIOTECH CO., LTD. (CN) 2020-03-05 US disclosed
US-20200069814-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE HANGZHOU DAC BIOTECH CO., LTD. (CN) 2020-03-05 US disclosed
EP-3606922-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE Hangzhou Dac Biotech Co., Ltd (CN) 2020-02-12 EP disclosed
WO-2018185526-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE HANGZHOU DAC BIOTECH CO., LTD (CN) 2018-10-11 WO disclosed
EP-0991619-B1 INHIBITORS OF ALPHA 4-BETA 1 MEDIATED CELL ADHESION TANABE SEIYAKU CO (JP) 2003-09-10 EP disclosed
US-6596752-B1 Small molecules that are potent inhibitors of alpha 4 beta 1 mediated adhesion to either VCAM or CS-1 and which could be useful for the treatment of inflammatory diseases. TANABE SEIYAKU CO., LTD. (JP) 2003-07-22 US disclosed
US-20030130349-A1 Inhibitors of alpha 4beta1 mediated cell adhesion TANABE SEIYAKU CO., LTD. 2003-07-10 US disclosed
US-6482849-B1 Inhibitors of α4β1 mediated cell adhesion TANABE SEIYAKU CO., LTD. (JP) 2002-11-19 US disclosed
EP-0991619-A1 INHIBITORS OF $g(a) 4?$g(b) 1?MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2000-04-12 EP disclosed
WO-1998058902-A1 INHIBITORS OF α4β1MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 1998-12-30 WO 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-20200069814-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE CD4, MCL1, CCNB1 KLK5 4107/4885LCK 491/4885LNPEP 631/4885
US-20210369855-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE CD4, MCL1, CCNB1 KLK5 4107/4885LCK 491/4885LNPEP 631/4885
US-20230001001-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE CD4, MCL1, CCNB1 KLK5 4107/4885LCK 491/4885LNPEP 631/4885
US-20230010108-A1 A CONJUGATION LINKER CONTAINING 2,3-DIAMINOSUCCINYL GROUP DAO, DDO, DCLRE1A KLK5 2678/4885LCK 2843/4885LNPEP 1111/4885
US-20030130349-A1 Inhibitors of alpha 4beta1 mediated cell adhesion VCAM1, ICAM1, ITGB1 KLK5 3107/4885LCK 3850/4885LNPEP 3991/4885
US-20210393790-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE CD4, MCL1, CCNB1 KLK5 4107/4885LCK 491/4885LNPEP 631/4885

“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.