SCHEMBL3483917

SCHEMBL3483917

N#Cc1ccc(C(NS(=O)(=O)c2nnc(-c3ccc(OCCN)cc3)s2)P(=O)(O)O)cc1F

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
TRPV4 Q9HBA0 8/20 0.34
XIAP P98170 1/20 0.33
CXCL12 P48061 1/20 0.33
S1PR1 P21453 5/20 0.32
S1PR3 Q99500 4/20 0.32
EGLN2 Q96KS0 1/20 0.32
S1PR2 O95136 1/20 0.32
S1PR4 O95977 1/20 0.32
EP300 Q09472 1/20 0.32

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
SCHEMBL3483497 0.83 TRPV4 (0.33) TRPV4EP300
SCHEMBL3483666 0.83 TRPV4 (0.33) TRPV4EP300
SCHEMBL14943088 0.82 TRPV4 (0.37) TRPV4
SCHEMBL3483289 0.79 TRPV4 (0.36) TRPV4
SCHEMBL3483722 0.76 TRPV4 (0.34) TRPV4S1PR1S1PR3
SCHEMBL3483896 0.76 S1PR3 (0.35) TRPV4S1PR1S1PR3S1PR2S1PR4
SCHEMBL3483911 0.75 TRPV4 (0.31) TRPV4S1PR1S1PR3
SCHEMBL3483534 0.74 TRPV4 (0.33) TRPV4
SCHEMBL3483257 0.74 BLM (0.35)
SCHEMBL3484100 0.74 S1PR3 (0.34) TRPV4S1PR1S1PR3S1PR2S1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440643-B2 Inhibitors of beta-lactamase METHYLGENE INC. (CA) 2013-05-14 US claimed
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-8440643-B2 Inhibitors of beta-lactamase METHYLGENE INC. (CA) 2013-05-14 US 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 MMP2 152/4885MMP9 66/4885MMP13 1499/4885

“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.