SCHEMBL4088757

SCHEMBL4088757

O=C(O)C=Cc1ccc2c(c1)COCC(=O)N2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.44
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 7/20 0.42
MAPT P10636 3/20 0.42
PKM P14618 3/20 0.42
HSD17B10 Q99714 3/20 0.42
LMNA P02545 3/20 0.42
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA3 P07451 3/20 0.42
CA4 P22748 3/20 0.42
CA6 P23280 3/20 0.42
CA5A P35218 3/20 0.42
CA7 P43166 3/20 0.42
CA9 Q16790 3/20 0.42
CA14 Q9ULX7 3/20 0.42
CA5B Q9Y2D0 3/20 0.42
HPGD P15428 2/20 0.42
MAPK1 P28482 2/20 0.42

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
SCHEMBL4088755 1.00 ALOX5 (0.44) ALOX5KDM4EALDH1A1MAPTPKM
SCHEMBL1093132 0.83 AHR (0.49) ALOX5KDM4EALDH1A1MAPTPKM
SCHEMBL1093134 0.83 AHR (0.49) ALOX5KDM4EALDH1A1MAPTPKM
SCHEMBL6642111 0.82 TBXAS1 (0.53) ALOX5KDM4EALDH1A1MAPTPKM
SCHEMBL6642106 0.82 TBXAS1 (0.53) ALOX5KDM4EALDH1A1MAPTPKM
Hydrochloric Acid SCHEMBL1092481 0.82 AHR (0.47) ALOX5KDM4EALDH1A1MAPTPKM
Hydrochloric Acid SCHEMBL1092478 0.82 AHR (0.47) ALOX5KDM4EALDH1A1MAPTPKM
SCHEMBL15956579 0.79 KDM4E (0.53) ALOX5KDM4EALDH1A1MAPTPKM
SCHEMBL15956580 0.79 KDM4E (0.53) ALOX5KDM4EALDH1A1MAPTPKM
SCHEMBL13799995 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156578-A1 3-Heterocyclylacrylamide Compounds as Fab I Inhibitors and Antibacterial Agents DEBIOPHARM INTERNATIONAL SA (CH) 2009-06-18 US disclosed
EP-1973902-A2 3-HETEROCYCLYLACRYLAMIDE COMPOUNDS AS FABI INHIBITORS AND ANTIBACTERIAL AGENTS Affinium Pharmaceuticals, Inc. (CA) 2008-10-01 EP disclosed
WO-2007067416-A2 HETEROCYCLYLACRYLAMIDE COMPOUNDS AS FABI INHIBITORS AND ANTIBACTERIAL AGENTS AFFINIUM PHARMACEUTICALS, INC. (CA) 2007-06-14 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 (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-20090156578-A1 3-Heterocyclylacrylamide Compounds as Fab I Inhibitors and Antibacterial Agents GAA, TFPI, DBI ALOX5 2681/4885KDM4E 3209/4885ALDH1A1 2669/4885

“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.