SCHEMBL6077757

SCHEMBL6077757

C/C=C(/CBr)C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
TRPA1 O75762 1/20 0.50
NPSR1 Q6W5P4 3/20 0.43
GLO1 Q04760 1/20 0.43
LMNA P02545 3/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP2D6 P10635 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 3/20 0.38
S1PR4 O95977 1/20 0.38
S1PR1 P21453 1/20 0.38
MAPK1 P28482 1/20 0.38
TSHR P16473 1/20 0.38
ALOX15 P16050 1/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37

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
SCHEMBL5963296 1.00 ALDH1A1 (0.50) ALDH1A1TRPA1NPSR1GLO1LMNA
SCHEMBL5963299 1.00 ALDH1A1 (0.50) ALDH1A1TRPA1NPSR1GLO1LMNA
SCHEMBL13497212 0.84 ALDH1A1 (0.48) ALDH1A1TRPA1NPSR1GLO1LMNA
SCHEMBL5963393 0.83 ALDH1A1 (0.46) ALDH1A1TRPA1NPSR1GLO1LMNA
SCHEMBL5963394 0.83 ALDH1A1 (0.46) ALDH1A1TRPA1NPSR1GLO1LMNA
SCHEMBL13497221 0.83 ALDH1A1 (0.46) ALDH1A1TRPA1NPSR1GLO1LMNA
SCHEMBL7601504 0.81 NPSR1 (0.46) ALDH1A1TRPA1NPSR1GLO1LMNA
SCHEMBL7600152 0.81 NPSR1 (0.46) ALDH1A1TRPA1NPSR1GLO1LMNA
SCHEMBL14814142 0.81 ALDH1A1 (0.45) ALDH1A1TRPA1NPSR1GLO1LMNA
SCHEMBL5963310 0.79 ALDH1A1 (0.43) ALDH1A1TRPA1NPSR1GLO1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7045619-B2 2-(pyrazol-3-yl)carbapenem derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2006-05-16 US disclosed
US-20030166923-A1 2-(pyrazol-3-yl)carbapenem derivatives SMITHKLINE BEECHAM P.L.C. 2003-09-04 US disclosed
US-20020147333-A1 2-(pyrazol-3-yl)carbapenem derivatives SMITHKLINE BEECHAM P.L.C. 2002-10-10 US disclosed
EP-0823911-A1 ESTERS OF CARBAPENEMS SMITHKLINE BEECHAM PLC (GB) 1998-02-18 EP disclosed
WO-1996034869-A1 ESTERS OF CARBAPENEMS SMITHKLINE BEECHAM PLC (GB) 1996-11-07 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 (2 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-20020147333-A1 2-(pyrazol-3-yl)carbapenem derivatives DPEP1, DHPS, JMJD6 ALDH1A1 308/4885TRPA1 4786/4885NPSR1 4475/4885
US-20030166923-A1 2-(pyrazol-3-yl)carbapenem derivatives DHPS, DPEP1, JMJD6 ALDH1A1 343/4885TRPA1 4688/4885NPSR1 4616/4885

“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.