SCHEMBL3483169

SCHEMBL3483169

NCCN(CCN)C(=O)c1ccc2sc(S(=O)(=O)NCP(=O)(O)O)cc2c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LIMK2 P53671 1/20 0.35
TPSAB1 Q15661 1/20 0.35
CA2 P00918 9/20 0.34
HDAC1 Q13547 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL14161372 0.81 TRPV4 (0.33)
SCHEMBL3480221 0.77 CA2 (0.41) TPSAB1CA2HDAC1
SCHEMBL14931228 0.76 CA2 (0.46) TPSAB1CA2HDAC1
SCHEMBL3483611 0.74 CA2 (0.36) TPSAB1CA2
SCHEMBL3483643 0.74 CA2 (0.35) TPSAB1CA2ITGB3ITGA2B
SCHEMBL3480316 0.73 HDAC1 (0.38) TPSAB1CA2HDAC1
SCHEMBL3480329 0.73 TOP1 (0.47) CA2HDAC1KMT2A
SCHEMBL3483924 0.73 CA2 (0.35) TPSAB1CA2ITGB3ITGA2B
SCHEMBL3483512 0.73 BCL9 (0.38) HDAC1KMT2A
SCHEMBL13032437 0.72 HPGD (0.38) HDAC6CYP1A2CYP2C9HPGDCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 LIMK2 3413/4885TPSAB1 171/4885CA2 440/4885

“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.