SCHEMBL2088264

SCHEMBL2088264

CCOC(=O)/C=C/c1ccc(NC(=O)OCc2ccccc2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.48
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
ATM Q13315 1/20 0.47
POLB P06746 1/20 0.44
LMNA P02545 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ENPP2 Q13822 1/20 0.44
KDM4E B2RXH2 1/20 0.44
SCD O00767 2/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ROCK2 O75116 1/20 0.43

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
SCHEMBL2088265 1.00 MGLL (0.48) MGLLPTGDR2RAB9ANPC1MAPT
SCHEMBL5378610 0.91 MGLL (0.50) MGLLPTGDR2RAB9ANPC1MAPT
SCHEMBL4879008 0.88 MGLL (0.53) MGLLPTGDR2RAB9ANPC1MAPT
SCHEMBL4879001 0.88 MGLL (0.53) MGLLPTGDR2RAB9ANPC1MAPT
SCHEMBL14370630 0.87 MGLL (0.47) MGLLPTGDR2RAB9ANPC1MAPT
SCHEMBL4876909 0.82 MGLL (0.52) MGLLPTGDR2RAB9ANPC1MAPT
SCHEMBL4876924 0.82 MGLL (0.52) MGLLPTGDR2RAB9ANPC1MAPT
SCHEMBL3089562 0.82 MAPT (0.61) RAB9ANPC1MAPTALDH1A1TP53
SCHEMBL27450458 0.82 MAPT (0.61) RAB9ANPC1MAPTALDH1A1TP53
SCHEMBL29952213 0.82 MGLL (0.56) MGLLPTGDR2RAB9ANPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329908-B2 Dual action antibiotics MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2012-12-11 US disclosed
US-20110059946-A1 DUAL ACTION ANTIBIOTICS MORPHOCHEM AKTIENGESELLSCHAFT FUER KOMBINATORISCHE CHEMIE (DE) 2011-03-10 US disclosed
US-7820823-B2 Dual action antibiotics Morphochem Aktiengesellschaft Fur Kominatorische Chemi (DE) 2010-10-26 US disclosed
US-20050096343-A1 Dual action antibiotics MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2005-05-05 US disclosed
EP-1432705-A2 DUAL ACTION ANTIBIOTICS Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2004-06-30 EP disclosed
WO-2003032962-A2 DUAL ACTION ANTIBIOTICS Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2003-04-24 WO disclosed
WO-2003031443-A1 DUAL ACTIONS ANTIBIOTICS COMPRISING A OXAZOLDINONE AND A QUINOLONE OR NAPHTHYRIDINONE MOIETY Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2003-04-17 WO disclosed
WO-2003031441-A1 MULTIPLE ACTION COMPOUNDS MORPHOCHEN AKTIENGESELLSCHAFT FÜR KOMBINATORISCHE CHEMIE (DE) 2003-04-17 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-20050096343-A1 Dual action antibiotics SLC11A2, MRPL21, MAP2K5 MGLL 421/4885PTGDR2 2975/4885RAB9A 1791/4885
US-20110059946-A1 DUAL ACTION ANTIBIOTICS SLC11A2, MRPL21, MAP2K5 MGLL 460/4885PTGDR2 2819/4885RAB9A 1915/4885

“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.