SCHEMBL4907306

SCHEMBL4907306

CC(C)(C)OC(=O)N[C@@H](CCNCc1ccc2ccccc2n1)C(=O)N1CCSCC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.41
P2RY12 Q9H244 10/20 0.40
KMT2A Q03164 2/20 0.38
ACKR3 P25106 1/20 0.38
MAPK1 P28482 1/20 0.38
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36

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
SCHEMBL4915020 0.91 TGM2 (0.42) TGM2P2RY12KMT2AMAPK1BCHE
SCHEMBL5871953 0.89 TGM2 (0.44) TGM2P2RY12ACKR3HDAC4HDAC1
SCHEMBL8358451 0.80 DPP4 (0.46) HDAC1
Hydrochloric Acid SCHEMBL6607738 0.79 DPP4 (0.45) HDAC1
SCHEMBL6165862 0.73 KMT2A (0.63) KMT2AMAPK1CTSBCTSSCTSK
SCHEMBL6165855 0.73 KMT2A (0.63) KMT2AMAPK1CTSBCTSSCTSK
SCHEMBL12561165 0.72 HDAC1 (0.52) KMT2AHDAC1BCHE
SCHEMBL21744309 0.72 BCHE (0.47) HDAC1BCHE
SCHEMBL30069410 0.72 BCHE (0.47) HDAC1BCHE
SCHEMBL9318798 0.72 PTPN1 (0.49) HDAC4HDAC1CTSBCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080255126-A1 Inhibitors of post-proline cleaving proteases FERRING B.V. 2008-10-16 US disclosed
US-7335677-B2 Inhibitors of dipeptidyl peptidase IV FERRING B.V. (NL) 2008-02-26 US disclosed
US-20050043299-A1 Inhibitors of dipeptidyl peptidase iv FERRING B. V. 2005-02-24 US disclosed
EP-1446116-A1 INHIBITORS OF DIPEPTIDYL PEPTIDASE IV FERRING B.V. (NL) 2004-08-18 EP disclosed
WO-2003035057-A1 INHIBITORS OF DIPEPTIDYL PEPTIDASE IV FERRING B.V. (NL) 2003-05-01 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 (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-20050043299-A1 Inhibitors of dipeptidyl peptidase iv DPP4, DPP9, DPP3 TGM2 293/4885P2RY12 4706/4885KMT2A 3490/4885
US-20080255126-A1 Inhibitors of post-proline cleaving proteases PREP, PEPD, DPP4 TGM2 440/4885P2RY12 4830/4885KMT2A 3682/4885

“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.