SCHEMBL2796977

SCHEMBL2796977

Cc1ccc(CN(C(=O)OCc2ccccc2)C2CCN(C(=O)C(NC(=O)C(CC(=O)NOCc3ccccc3)CC3CCCC3)C(C)(C)C)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 9/20 0.40
MMP13 P45452 3/20 0.40
MMP2 P08253 8/20 0.40
MMP3 P08254 6/20 0.40
BMP1 P13497 1/20 0.38
CTSS P25774 1/20 0.36
CCR5 P51681 2/20 0.36
HTR2A P28223 2/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 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
SCHEMBL2796971 1.00 MMP1 (0.40) MMP1MMP13MMP2MMP3BMP1
SCHEMBL2794578 0.88 MMP1 (0.41) MMP1MMP13MMP2MMP3CTSS
SCHEMBL2794582 0.86 MMP1 (0.40) MMP1MMP13MMP2MMP3CCR5
SCHEMBL2794584 0.86 MMP1 (0.40) MMP1MMP13MMP2MMP3CCR5
SCHEMBL5494014 0.79 MMP1 (0.44) MMP1MMP13MMP2MMP3BMP1
SCHEMBL5494009 0.79 MMP1 (0.44) MMP1MMP13MMP2MMP3BMP1
SCHEMBL2795249 0.77 HTR2A (0.47) CCR5HTR2A
SCHEMBL2797087 0.77 THRB (0.39) MMP1MMP13CTSS
Hydrochloric Acid SCHEMBL2795250 0.76 HTR2A (0.46) CCR5HTR2A
Hydrochloric Acid SCHEMBL2794028 0.76 HTR2A (0.46) CCR5HTR2A

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 2075/4885MMP2 965/4885

“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.