SCHEMBL3483655

SCHEMBL3483655

NCCCOc1cc(C(=O)Nc2ccc3sc(S(=O)(=O)NCP(=O)(O)OC(=O)C(F)(F)F)cc3c2)cc(OCCCN)c1OCCCN

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.33
MEN1 O00255 1/20 0.33
S1PR4 O95977 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
S1PR5 Q9H228 1/20 0.32
TRPV1 Q8NER1 2/20 0.32
BCL9 O00512 1/20 0.31
CTNNB1 P35222 1/20 0.31
HDAC1 Q13547 1/20 0.31
PDGFRB P09619 7/20 0.31
KDR P35968 7/20 0.31
RAB9A P51151 1/20 0.31
MAPT P10636 1/20 0.31
PLAU P00749 1/20 0.31
GAA P10253 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL3483617 0.92 BCL9 (0.36) S1PR4S1PR1S1PR3S1PR5TRPV1
SCHEMBL3484141 0.91 HDAC1 (0.32) KMT2AMEN1TRPV1HDAC1PDGFRB
Trifluoroacetic Acid SCHEMBL3483645 0.90 PDGFRB (0.33) KMT2AMEN1S1PR4S1PR1S1PR3
SCHEMBL3483292 0.89 KMT2A (0.36) KMT2AMEN1BCL9CTNNB1HDAC1
Trifluoroacetic Acid SCHEMBL14931490 0.82 CACNA1B (0.33) S1PR1S1PR3
Trifluoroacetic Acid SCHEMBL3483609 0.82 BCL9 (0.37) S1PR4S1PR1S1PR3S1PR5TRPV1
SCHEMBL13032365 0.81 KCNQ3 (0.34) PDGFRBKDR
SCHEMBL3483512 0.81 BCL9 (0.38) KMT2AMEN1BCL9CTNNB1HDAC1
Trifluoroacetic Acid SCHEMBL3484128 0.80 CA12 (0.36) HDAC1PDGFRBKDR
SCHEMBL3484113 0.79 HDAC1 (0.36) KMT2AMEN1HDAC1PDGFRBKDR

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 KMT2A 1158/4885MEN1 2900/4885S1PR4 4636/4885

“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.