SCHEMBL18155301

SCHEMBL18155301

CN1C(=O)[C@@H](C(=O)C(C)(C)C)[C@@H]1COCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
LMNA P02545 1/20 0.36
ALDH1A1 P00352 2/20 0.36
ABHD6 Q9BV23 2/20 0.35
GHSR Q92847 2/20 0.35
SRD5A2 P31213 1/20 0.35
TSHR P16473 1/20 0.35
OPRM1 P35372 1/20 0.35
KCNH2 Q12809 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
FAAH O00519 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
SCHEMBL18155315 0.87 AGTR2 (0.39) MMP1MMP2MMP3MMP9MMP13
SCHEMBL18155314 0.85 ALDH1A1 (0.41) MMP1MMP2MMP3MMP9MMP13
SCHEMBL18155309 0.85 ALDH1A1 (0.41) MMP1MMP2MMP3MMP9MMP13
SCHEMBL18155310 0.81 ALDH1A1 (0.38) MMP1MMP2MMP3MMP9MMP13
SCHEMBL18155292 0.79 KCNH2 (0.41) LMNAKCNH2
SCHEMBL18155304 0.79 MMP1 (0.37) MMP1MMP2MMP3MMP9MMP13
SCHEMBL18155305 0.79 MMP1 (0.37) MMP1MMP2MMP3MMP9MMP13
SCHEMBL16433512 0.77 CHRM2 (0.42) LMNAALDH1A1
SCHEMBL16433514 0.77 CHRM2 (0.42) LMNAALDH1A1
SCHEMBL16433515 0.72 MMP1 (0.35) MMP1MMP2MMP3MMP9MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170114014-A1 B-LACTAM COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-04-27 US disclosed
US-9469610-B2 β-lactam compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-10-18 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-20170114014-A1 B-LACTAM COMPOUNDS COASY, BBOX1, GNE MMP1 3261/4885MMP2 1438/4885MMP3 2766/4885

“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.