SCHEMBL2793201

SCHEMBL2793201

COc1ccc(NC2CCN(C(=O)[C@@H](NC(=O)[C@H](CC3CCCC3)CN(O)C=O)C(C)(C)C)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
MMP1 P03956 6/20 0.40
MMP13 P45452 4/20 0.40
MMP2 P08253 2/20 0.40
MMP3 P08254 2/20 0.40
MMP8 P22894 2/20 0.40
MAPT P10636 1/20 0.39
KLK7 P49862 1/20 0.39
CTSS P25774 4/20 0.37
CTSK P43235 4/20 0.37
CTSL P07711 3/20 0.37
EPHX2 P34913 1/20 0.37
CACNA1B Q00975 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 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
SCHEMBL2793204 1.00 ALDH1A1 (0.46) ALDH1A1MMP1MMP13MMP2MMP3
SCHEMBL2794666 0.92 MMP1 (0.38) ALDH1A1MMP1MMP13MAPTCTSS
SCHEMBL2794661 0.92 MMP1 (0.38) ALDH1A1MMP1MMP13MAPTCTSS
SCHEMBL2790679 0.91 MMP1 (0.39) MMP1MMP13
SCHEMBL13231015 0.91 MMP1 (0.39) MMP1MMP13ADRB1ADRB3
SCHEMBL2790678 0.91 MMP1 (0.39) MMP1MMP13
SCHEMBL2795549 0.90 CTSS (0.40) MMP1MMP13KLK7CTSS
SCHEMBL2795556 0.90 CTSS (0.40) MMP1MMP13KLK7CTSS
SCHEMBL2795032 0.90 MMP1 (0.45) MMP1MMP13MMP2MMP3
SCHEMBL2795037 0.90 MMP1 (0.45) MMP1MMP13MMP2MMP3

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-20100168421-A1 A NEW PEPTIDE DEFORMYLASE INHIBITOR COMPOUND AND MANUFACTURING PROCESS THEREOF ILDONG PHARMACEUTICAL CO., LTD. (KR) 2010-07-01 US disclosed
US-20100168421-A1 A NEW PEPTIDE DEFORMYLASE INHIBITOR COMPOUND AND MANUFACTURING PROCESS THEREOF ILDONG PHARMACEUTICAL CO., LTD. (KR) 2010-07-01 US disclosed
US-20100168421-A1 A NEW PEPTIDE DEFORMYLASE INHIBITOR COMPOUND AND MANUFACTURING PROCESS THEREOF ILDONG PHARMACEUTICAL CO., LTD. (KR) 2010-07-01 US disclosed
WO-2008150089-A1 A NEW PEPTIDE DEFORMYLASE INHIBITOR COMPOUND AND MANUFACTURING PROCESS THEREOF ILDONG PHARMACEUTICAL CO., LTD. (KR) 2008-12-11 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-20100168421-A1 A NEW PEPTIDE DEFORMYLASE INHIBITOR COMPOUND AND MANUFACTURING PROCESS THEREOF PDF, PEPD, DPEP1 ALDH1A1 3114/4885MMP1 2274/4885MMP13 2075/4885

“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.