SCHEMBL17254239

SCHEMBL17254239

CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C#CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.55
CTSS P25774 4/20 0.55
CTSB P07858 2/20 0.55
CTSL P07711 2/20 0.55
PAX8 Q06710 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
PSMB8 P28062 1/20 0.50
PSMB9 P28065 1/20 0.50
PSMB5 P28074 1/20 0.50
GNPAT O15228 1/20 0.50
PTPN1 P18031 1/20 0.49
AKT1 P31749 1/20 0.49
MMP1 P03956 1/20 0.49
MMP3 P08254 1/20 0.49
MMP9 P14780 1/20 0.49
ACE P12821 1/20 0.48
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL30531002 0.91 GNPAT (0.62) CTSKCTSSCTSBCTSLPAX8
SCHEMBL7850315 0.90 CTSK (0.62) CTSKCTSSCTSBCTSLPAX8
SCHEMBL20838286 0.89 FOLH1 (0.57) CTSKCTSSCTSBCTSLPAX8
SCHEMBL20838288 0.89 FOLH1 (0.57) CTSKCTSSCTSBCTSLPAX8
SCHEMBL22424958 0.89 PAX8 (0.54) CTSKCTSSCTSBCTSLPAX8
SCHEMBL16908988 0.89 ACE (0.59) CTSKCTSSCTSBCTSLPAX8
SCHEMBL13702233 0.89 ACE (0.59) CTSKCTSSCTSBCTSLPAX8
SCHEMBL17039853 0.88 FOLH1 (0.57) CTSKCTSSCTSBCTSLPAX8
SCHEMBL13956678 0.88 PAX8 (0.52) CTSKCTSSCTSBCTSLPAX8
SCHEMBL20669327 0.87 REN (0.61) CTSKCTSSCTSBCTSLPAX8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170173176-A1 ACETYLENEDICARBOXYL LINKERS AND THEIR USES IN SPECIFIC CONJUGATION OF A CELL-BINDING MOLECULE SUZHOU M-CONJ BIOTECH CO., LTD. (CN) 2017-06-22 US disclosed
US-20170173168-A1 ACETYLENEDICARBOXYL LINKERS AND THEIR USES IN SPECIFIC CONJUGATION OF A CELL-BINDING MOLECULE SUZHOU M-CONJ BIOTECH CO., LTD. (CN) 2017-06-22 US disclosed
US-20170143845-A1 ACETYLENEDICARBOXYL LINKERS AND THEIR USES IN SPECIFIC CONJUGATION OF A CELL-BINDING MOLECULE SUZHOU M-CONJ BIOTECH CO., LTD (CN) 2017-05-25 US disclosed
US-20150322155-A1 ACETYLENEDICARBOXYL LINKERS AND THEIR USES IN SPECIFIC CONJUGATION OF A CELL-BINDING MOLECULE Sushou M-conj Biotech Co., Ltd (CN) 2015-11-12 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-20170173176-A1 ACETYLENEDICARBOXYL LINKERS AND THEIR USES IN SPECIFIC CONJUGATION OF A CELL-BINDING MOLECULE AADAC, EPCAM, DCLRE1A CTSK 1439/4885CTSS 2226/4885CTSB 1522/4885
US-20170173168-A1 ACETYLENEDICARBOXYL LINKERS AND THEIR USES IN SPECIFIC CONJUGATION OF A CELL-BINDING MOLECULE AADAC, EPCAM, DCLRE1A CTSK 1439/4885CTSS 2226/4885CTSB 1522/4885
US-20170143845-A1 ACETYLENEDICARBOXYL LINKERS AND THEIR USES IN SPECIFIC CONJUGATION OF A CELL-BINDING MOLECULE AADAC, EPCAM, DCLRE1A CTSK 1439/4885CTSS 2226/4885CTSB 1522/4885
US-20150322155-A1 ACETYLENEDICARBOXYL LINKERS AND THEIR USES IN SPECIFIC CONJUGATION OF A CELL-BINDING MOLECULE DCLRE1A, AADAC, UACA CTSK 2415/4885CTSS 2743/4885CTSB 2372/4885

“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.