SCHEMBL4470428

SCHEMBL4470428

COC(=O)CNC(=O)C(NC(=O)OC(C)(C)C)C(C)C

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.67
CTSS P25774 4/20 0.67
CA2 P00918 3/20 0.50
CA1 P00915 1/20 0.47
CA7 P43166 1/20 0.47
CYP2D6 P10635 1/20 0.47
PSENEN Q9NZ42 1/20 0.46
CA12 O43570 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CTSL P07711 2/20 0.44
CTSB P07858 2/20 0.44
PREP P48147 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
TRPA1 O75762 1/20 0.41

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
SCHEMBL9788528 1.00 CTSK (0.67) CTSKCTSSCA2CA1CA7
SCHEMBL1003572 0.88 CTSK (0.71) CTSKCTSSCA2CA1CA7
SCHEMBL2116924 0.88 CTSK (0.71) CTSKCTSSCA2CA1CA7
SCHEMBL26296376 0.87 CTSS (0.49) CTSKCTSSCA2PSENENMEN1
SCHEMBL16550867 0.87 CTSS (0.69) CTSKCTSSCA2CA1CA7
SCHEMBL22960908 0.84 CTSK (0.59) CTSKCTSSCA2CA1CA7
SCHEMBL8276584 0.84 CTSK (0.70) CTSKCTSSCA2CA1CA7
SCHEMBL16710009 0.84 CTSK (0.70) CTSKCTSSCA2CA1CA7
SCHEMBL10841914 0.84 KMT2A (0.53) CTSKCTSSCA2CA1CA7
SCHEMBL28827213 0.84 KMT2A (0.53) CTSKCTSSCA2CA1CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150119251-A1 AGRICULTURAL PLANT-PROTECTING AGENTS CONTAINING DIPEPTIDE DERIVATIVE AS ACTIVE INGREDIENT REPUBLIC OF KOREA (RURAL DEVELOPMENT ADMINISTRATION) (KR) 2015-04-30 US claimed
WO-2020205564-A1 CYTOTOXIC BIS-BENZODIAZEPINE DERIVATIVES AND CONJUGATES THEREOF WITH CELL-BINDING AGENTS FOR INHIBITING ABNORMAL CELL GROWTH OR FOR TREATING PROLIFERATIVE DISEASES IMMUNOGEN, INC. (US) 2020-10-08 WO disclosed
US-20150119251-A1 AGRICULTURAL PLANT-PROTECTING AGENTS CONTAINING DIPEPTIDE DERIVATIVE AS ACTIVE INGREDIENT REPUBLIC OF KOREA (RURAL DEVELOPMENT ADMINISTRATION) (KR) 2015-04-30 US disclosed
US-7595397-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-29 US disclosed
US-7595397-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-29 US disclosed
US-7595397-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-29 US disclosed
EP-1966132-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-09-10 EP disclosed
US-20070191340-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-16 US disclosed
US-20070191340-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-16 US disclosed
US-20070191340-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-16 US disclosed
WO-2007070760-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 WO disclosed
WO-2007070760-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 WO disclosed
US-5037957-A Oliopeptides of glycine diazomethylketone and valine possibly containing proline, arginine and lucine with protective groups GRUBB ANDERS (SE) 1991-08-06 US disclosed
EP-0418233-A1 CYSTEINE PROTEINASE INHIBITOR GRUBB, Anders (SE) 1991-03-27 EP disclosed
WO-1988010266-A1 CYSTEINE PROTEINASE INHIBITOR GRUBB ANDERS (SE) 1988-12-29 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 (2 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-20150119251-A1 AGRICULTURAL PLANT-PROTECTING AGENTS CONTAINING DIPEPTIDE DERIVATIVE AS ACTIVE INGREDIENT PEPD, DNPEP, DPP7 CTSK 2357/4885CTSS 3207/4885CA2 1173/4885
US-20070191340-A1 Compounds Which Modulate The CB2 Receptor CNR1, CNR2, ARRB1 CTSK 3609/4885CTSS 3436/4885CA2 1937/4885

“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.