SCHEMBL3483512

SCHEMBL3483512

NCCCOc1ccc(C(=O)Nc2ccc3sc(S(=O)(=O)NCP(=O)(O)O)cc3c2)cc1OCCCN

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 4/20 0.38
CTNNB1 P35222 4/20 0.38
MAPT P10636 4/20 0.38
POLB P06746 2/20 0.38
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 2/20 0.35
PDGFRB P09619 4/20 0.35
KDR P35968 4/20 0.35
HDAC1 Q13547 1/20 0.35
NPC1 O15118 1/20 0.35
NQO2 P16083 1/20 0.35
CASP3 P42574 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
LMNA P02545 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HTT P42858 1/20 0.34

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
Trifluoroacetic Acid SCHEMBL3483609 0.94 BCL9 (0.37) BCL9CTNNB1MAPTPOLBKDM4E
SCHEMBL3483292 0.91 KMT2A (0.36) BCL9CTNNB1MAPTGAARAB9A
SCHEMBL3483617 0.89 BCL9 (0.36) BCL9CTNNB1MAPTPOLBKDM4E
SCHEMBL3484113 0.88 HDAC1 (0.36) MAPTPOLBRAB9APDGFRBKDR
Trifluoroacetic Acid SCHEMBL3483645 0.86 PDGFRB (0.33) BCL9CTNNB1MAPTRAB9APDGFRB
SCHEMBL3480605 0.86 TOP1 (0.35) MAPTPOLBKDM4EGAATSHR
SCHEMBL13032362 0.84 KCNQ3 (0.37) BCL9CTNNB1PDGFRBKDR
Trifluoroacetic Acid SCHEMBL3484128 0.82 CA12 (0.36) PDGFRBKDRHDAC1CASP3SENP7
SCHEMBL16667292 0.82 TPSAB1 (0.33)
SCHEMBL3483655 0.81 KMT2A (0.33) BCL9CTNNB1MAPTGAARAB9A

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 BCL9 1878/4885CTNNB1 1397/4885MAPT 3993/4885

“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.