SCHEMBL18155314

SCHEMBL18155314

CC(=O)[C@@H]1C(=O)N(C)[C@H]1COCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
SRD5A2 P31213 1/20 0.37
ABHD6 Q9BV23 2/20 0.37
ELANE P08246 2/20 0.37
OPRM1 P35372 1/20 0.36
KCNH2 Q12809 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
FOLH1 Q04609 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
SCHEMBL18155309 1.00 ALDH1A1 (0.41) ALDH1A1MMP1MMP2MMP3MMP9
SCHEMBL18155315 0.90 AGTR2 (0.39) ALDH1A1MMP1MMP2MMP3MMP9
SCHEMBL18155310 0.87 ALDH1A1 (0.38) ALDH1A1MMP1MMP2MMP3MMP9
SCHEMBL18155301 0.85 MMP1 (0.37) ALDH1A1MMP1MMP2MMP3MMP9
SCHEMBL18155292 0.82 KCNH2 (0.41) LMNAKCNH2FOLH1
SCHEMBL18155304 0.82 MMP1 (0.37) MMP1MMP2MMP3MMP9MMP13
SCHEMBL18155305 0.82 MMP1 (0.37) MMP1MMP2MMP3MMP9MMP13
SCHEMBL16433514 0.80 CHRM2 (0.42) ALDH1A1LMNA
SCHEMBL16433512 0.80 CHRM2 (0.42) ALDH1A1LMNA
SCHEMBL9811411 0.75 ALDH1A1 (0.40) ALDH1A1ELANE

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 ALDH1A1 2472/4885MMP1 3261/4885MMP2 1438/4885

“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.