SCHEMBL4409429

SCHEMBL4409429

C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(O)c1nc2ccccc2s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 1/20 0.40
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
FAP Q12884 3/20 0.38
ACE P12821 1/20 0.38
DPP4 P27487 3/20 0.37
KMT2A Q03164 2/20 0.37
ATM Q13315 1/20 0.37
LIPC P11150 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL4408401 0.86 KMT2A (0.42) KMT2A
SCHEMBL4406391 0.83 KLK5 (0.44) KLK5HDAC3HDAC4HDAC1HDAC7
SCHEMBL4412431 0.80 L3MBTL1 (0.46) KMT2ATSHRBCHEL3MBTL1GPR119
SCHEMBL2841931 0.73 HPGD (0.46) DPP4KMT2A
SCHEMBL2841930 0.73 HPGD (0.46) DPP4KMT2A
SCHEMBL4412440 0.71 CMA1 (0.46) KMT2AALOX15TSHRCASP1
SCHEMBL6560408 0.69 HPGD (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12324931 0.68 GPR119 (0.47) L3MBTL1GPR119
SCHEMBL7449597 0.68 CACNA1B (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8373326 0.68 HDAC3 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2

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-7608577-B2 Peptidyl ketones as inhibitors of DPIV OSI PHARMACEUTICALS, INC. (US) 2009-10-27 US disclosed
EP-1434792-A2 PEPTIDYL KETONES AS INHIBITORS OF DPIV Probiodrug AG (DE) 2004-07-07 EP disclosed
US-20030148961-A1 Peptidyl ketones as inhibitors of DPIV PROSIDION LIMITED (GB) 2003-08-07 US disclosed
WO-2003033524-A2 PEPTIDYL KETONES AS INHIBITORS OF DPIV PROBIODRUG AG (DE) 2003-04-24 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 (1 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-20030148961-A1 Peptidyl ketones as inhibitors of DPIV GLS, SLC5A1, BCKDK KLK5 628/4885HDAC3 3825/4885HDAC4 3061/4885

“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.