SCHEMBL4955696

SCHEMBL4955696

CC(C)(C)OC(=O)N[C@@H](CCC(=O)O)C(=O)C1NCCS1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.37
CTSS P25774 7/20 0.37
ITGB3 P05106 7/20 0.36
ITGA2B P08514 7/20 0.36
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL4955709 0.90 CTSK (0.34) CTSKCTSSITGB3ITGA2BCTSL
SCHEMBL299855 0.84 ITGB3 (0.43) CTSKCTSSITGB3ITGA2BHDAC4
SCHEMBL27589805 0.80 ANPEP (0.35)
SCHEMBL1733549 0.79 KMT2A (0.39) CTSKCTSSTSHR
SCHEMBL4730477 0.75 ITGB3 (0.48) CTSKCTSSITGB3ITGA2BHDAC4
SCHEMBL2769978 0.74 FOLH1 (0.56) CTSKCTSS
SCHEMBL1318658 0.74 FOLH1 (0.56) CTSKCTSS
SCHEMBL1324835 0.74 FOLH1 (0.56) CTSKCTSS
SCHEMBL6168892 0.73 AAK1 (0.39) CTSKCTSSCTSLHDAC4HDAC1
SCHEMBL14125028 0.72 CTSK (0.48) CTSKCTSSCTSLCTSBCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7368576-B2 Dipeptidyl peptidase IV inhibitors and their uses as anti-cancer agents PROBIODRUG AG (DE) 2008-05-06 US disclosed
US-7368421-B2 Use of dipeptidyl peptidase IV inhibitors in the treatment of multiple sclerosis PROBIODRUG AG (DE) 2008-05-06 US disclosed
US-7335645-B2 Effectors of dipeptidyl peptidase IV for topical use PROBIODRUG AG (DE) 2008-02-26 US disclosed
US-20070207946-A1 Dipeptidyl peptidase IV inhibitors and their uses for lowering blood pressure levels POSPISILIK ANDREW J 2007-09-06 US disclosed
EP-1792910-A2 Effectors of dipeptidyl peptidase IV for topical use Probiodrug AG (DE) 2007-06-06 EP disclosed
EP-1206485-B1 NEW EFFECTORS OF DIPEPTIDYL PEPTIDASE IV FOR TOPICAL USE PROBIODRUG AG (DE) 2007-03-21 EP disclosed
US-20060293248-A1 Dipeptidyl peptidase IV inhibitors and their uses as anti-cancer agents PROBIODRUG AG 2006-12-28 US disclosed
US-7109347-B2 Dipeptidyl peptidase IV inhibitors and their uses as anti-cancer agents PROBIODRUG AG (DE) 2006-09-19 US disclosed
US-6949515-B2 Effectors of dipeptidyl peptidase IV for topical use PROBIODRUG AG (DE) 2005-09-27 US disclosed
US-20050209159-A1 Effectors of dipeptidyl peptidase IV for topical use PROBIODRUG AG (DE) 2005-09-22 US disclosed
EP-1399470-A2 DIPEPTIDYL PEPTIDASE IV INHIBITORS AND THEIR USES AS ANTI-CANCER AGENTS Probiodrug AG (DE) 2004-03-24 EP disclosed
US-20030176357-A1 Dipeptidyl peptidase IV inhibitors and their uses for lowering blood pressure levels PROSIDION LIMITED (GB) 2003-09-18 US disclosed
US-20030130199-A1 Dipeptidyl peptidase IV inhibitors and their uses as anti-cancer agents PROBIODRUG (DE) 2003-07-10 US disclosed
US-20030119750-A1 Use of dipeptidyl peptidase IV inhibitors PROBIODRUG (DE) 2003-06-26 US disclosed
US-20030092630-A2 Amino acid side chain-modified substrates of the enzyme; obtaining locally limited inhibition; treating inflammation, psoriasis, periodontitis, allergies, arthritis, tumors or autoimmune diseases PROBIODRUG AG (DE) 2003-05-15 US disclosed
WO-2003015775-A1 NEW DIPEPTIDYL PEPTIDASE IV INHIBITORS AND THEIR USES FOR LOWERING BLOOD PRESSURE LEVELS PROBIODRUG AG (DE) 2003-02-27 WO disclosed
WO-2003002595-A2 DIPEPTIDYL PEPTIDASE IV INHIBITORS AND THEIR USES AS ANTI-CANCER AGENTS PROBIODRUG AG (DE) 2003-01-09 WO disclosed
US-20020165164-A1 New effectors of dipeptidyl peptidase IV for topical use DEMUTH HANS-ULRICH (DE) 2002-11-07 US disclosed
EP-1206485-A2 NEW EFFECTORS OF DIPEPTIDYL PEPTIDASE IV FOR TOPICAL USE Probiodrug AG (DE) 2002-05-22 EP disclosed
WO-2001014318-A2 NEW EFFECTORS OF DIPEPTIDYL PEPTIDASE IV FOR TOPICAL USE PROBIODRUG AG (DE) 2001-03-01 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 (8 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-20030092630-A2 Amino acid side chain-modified substrates of the enzyme; obtaining locally limited inhibition; treating inflammation, psoriasis, periodontitis, allergies, arthritis, tumors or autoimmune diseases DNPEP, PREP, ENPEP CTSK 633/4885CTSS 443/4885ITGB3 1963/4885
US-20060293248-A1 Dipeptidyl peptidase IV inhibitors and their uses as anti-cancer agents DPP4, DPP3, DNPEP CTSK 952/4885CTSS 560/4885ITGB3 1066/4885
US-20020165164-A1 New effectors of dipeptidyl peptidase IV for topical use DNPEP, PREP, DPP4 CTSK 741/4885CTSS 773/4885ITGB3 1407/4885
US-20030130199-A1 Dipeptidyl peptidase IV inhibitors and their uses as anti-cancer agents DPP4, DPP3, DNPEP CTSK 952/4885CTSS 560/4885ITGB3 1066/4885
US-20030119750-A1 Use of dipeptidyl peptidase IV inhibitors DPP4, DPP3, DPP7 CTSK 1467/4885CTSS 833/4885ITGB3 4186/4885
US-20050209159-A1 Effectors of dipeptidyl peptidase IV for topical use DNPEP, PREP, DPP4 CTSK 673/4885CTSS 757/4885ITGB3 1249/4885
US-20070207946-A1 Dipeptidyl peptidase IV inhibitors and their uses for lowering blood pressure levels DPP4, DPP3, DPP9 CTSK 436/4885CTSS 608/4885ITGB3 3140/4885
US-20030176357-A1 Dipeptidyl peptidase IV inhibitors and their uses for lowering blood pressure levels DPP4, DPP3, DPP9 CTSK 436/4885CTSS 608/4885ITGB3 3140/4885

“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.