SCHEMBL3483779

SCHEMBL3483779

COc1ccc(C(=O)NCCN(CCNC(=O)c2ccc(OC)c(OC)c2)CC(=O)Nc2ccc3sc(S(=O)(=O)NCP(=O)(O)O)cc3c2)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
ALDH1A1 P00352 5/20 0.40
RAB9A P51151 3/20 0.39
POLB P06746 3/20 0.39
MAPT P10636 3/20 0.39
NPC1 O15118 2/20 0.38
NQO2 P16083 1/20 0.38
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
TSHR P16473 2/20 0.37
MAPK1 P28482 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
TP53 P04637 1/20 0.36
RECQL P46063 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
SCHEMBL3483648 0.87 CA1 (0.36) ALDH1A1POLBMAPTKMT2AMEN1
SCHEMBL13032360 0.85 ALDH1A1 (0.36) TMEM97SIGMAR1ALDH1A1RAB9APOLB
SCHEMBL14161403 0.75 CA2 (0.43)
SCHEMBL3483343 0.75 HDAC1 (0.40) ALDH1A1RAB9AMAPTNPC1KMT2A
SCHEMBL3480605 0.74 TOP1 (0.35) ALDH1A1RAB9APOLBMAPTKDM4E
SCHEMBL13032364 0.74 KCNQ3 (0.30)
SCHEMBL14931228 0.73 CA2 (0.46)
SCHEMBL3483512 0.72 BCL9 (0.38) RAB9APOLBMAPTNPC1NQO2
SCHEMBL16684150 0.72 POLB (0.41) TMEM97SIGMAR1ALDH1A1POLBTDP1
SCHEMBL3480329 0.72 TOP1 (0.47) POLBMAPTKMT2AMEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100279983-A1 NOVEL INHIBITORS OF BETA-LACTAMASE METHYLGENE INC. 2010-11-04 US claimed
EP-2049200-A2 NOVEL INHIBITORS OF BETA-LACTAMASE MethylGene Inc. (CA) 2009-04-22 EP claimed
WO-2008073142-A2 NOVEL INHIBITORS OF BETA-LACTAMASE MERCK & CO., INC. (US) 2008-06-19 WO claimed
EP-2049200-B1 NOVEL INHIBITORS OF BETA-LACTAMASE METHYLGENE INC (CA) 2015-04-29 EP disclosed
US-20100279983-A1 NOVEL INHIBITORS OF BETA-LACTAMASE METHYLGENE INC. 2010-11-04 US disclosed
EP-2049200-A2 NOVEL INHIBITORS OF BETA-LACTAMASE MethylGene Inc. (CA) 2009-04-22 EP disclosed
WO-2008073142-A2 NOVEL INHIBITORS OF BETA-LACTAMASE MERCK & CO., INC. (US) 2008-06-19 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-20100279983-A1 NOVEL INHIBITORS OF BETA-LACTAMASE MGAM, MGAM2, PGLS TMEM97 3052/4885SIGMAR1 1535/4885ALDH1A1 2190/4885

“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.