SCHEMBL4955709

SCHEMBL4955709

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.34
CTSS P25774 7/20 0.34
HDAC4 P56524 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
REN P00797 1/20 0.33
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
ITGB3 P05106 2/20 0.32
ITGA2B P08514 2/20 0.32

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
SCHEMBL4955696 0.90 CTSK (0.37) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL299855 0.85 ITGB3 (0.43) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL1733549 0.78 KMT2A (0.39) CTSKCTSS
SCHEMBL13263354 0.74 CTSK (0.44) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL11184897 0.73 CYP1A2 (0.46) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL3241829 0.73 CYP1A2 (0.46) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL1486176 0.73 PPARA (0.47) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL1001713 0.73 PPARA (0.47) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL11103967 0.73 CYP1A2 (0.46) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL1001711 0.73 PPARA (0.47) CTSKCTSSCYP1A2CYP2C9CYP2C19

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 443/4885HDAC4 1498/4885
US-20060293248-A1 Dipeptidyl peptidase IV inhibitors and their uses as anti-cancer agents DPP4, DPP3, DNPEP CTSK 952/4885CTSS 560/4885HDAC4 468/4885
US-20020165164-A1 New effectors of dipeptidyl peptidase IV for topical use DNPEP, PREP, DPP4 CTSK 741/4885CTSS 773/4885HDAC4 777/4885
US-20030130199-A1 Dipeptidyl peptidase IV inhibitors and their uses as anti-cancer agents DPP4, DPP3, DNPEP CTSK 952/4885CTSS 560/4885HDAC4 468/4885
US-20030119750-A1 Use of dipeptidyl peptidase IV inhibitors DPP4, DPP3, DPP7 CTSK 1467/4885CTSS 833/4885HDAC4 534/4885
US-20050209159-A1 Effectors of dipeptidyl peptidase IV for topical use DNPEP, PREP, DPP4 CTSK 673/4885CTSS 757/4885HDAC4 941/4885
US-20070207946-A1 Dipeptidyl peptidase IV inhibitors and their uses for lowering blood pressure levels DPP4, DPP3, DPP9 CTSK 436/4885CTSS 608/4885HDAC4 438/4885
US-20030176357-A1 Dipeptidyl peptidase IV inhibitors and their uses for lowering blood pressure levels DPP4, DPP3, DPP9 CTSK 436/4885CTSS 608/4885HDAC4 438/4885

“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.