SCHEMBL2794584

SCHEMBL2794584

Cc1ccc(CN(C(=O)OCc2ccccc2)C2CCN(C(=O)C(NC(=O)C(CC3CCCC3)CN(C=O)OCc3ccccc3)C(C)(C)C)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 11/20 0.40
MMP13 P45452 4/20 0.40
HTR2A P28223 5/20 0.37
MMP2 P08253 3/20 0.36
MMP3 P08254 3/20 0.36
CCR5 P51681 3/20 0.36
CCR1 P32246 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
SCHEMBL2794582 1.00 MMP1 (0.40) MMP1MMP13HTR2AMMP2MMP3
SCHEMBL2797092 0.89 THRB (0.38) MMP1MMP13CCR5CCR1
SCHEMBL2797093 0.89 THRB (0.38) MMP1MMP13CCR5CCR1
SCHEMBL2794578 0.87 MMP1 (0.41) MMP1MMP13HTR2AMMP2MMP3
SCHEMBL2796971 0.86 MMP1 (0.40) MMP1MMP13HTR2AMMP2MMP3
SCHEMBL2796977 0.86 MMP1 (0.40) MMP1MMP13HTR2AMMP2MMP3
SCHEMBL2791092 0.81 MMP1 (0.33) MMP1MMP13HTR2ACCR1
SCHEMBL2791089 0.81 MMP1 (0.33) MMP1MMP13HTR2ACCR1
SCHEMBL14492864 0.80 MMP1 (0.47) MMP1MMP13MMP2MMP3
SCHEMBL3323190 0.80 MMP1 (0.42) 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 1 patent. 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

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 MMP1 2274/4885MMP13 2075/4885HTR2A 4650/4885

“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.