SCHEMBL3480053

SCHEMBL3480053

O=C(NCCCCOc1cc2sc(S(=O)(=O)NCP(=O)(O)O)cc2cc1OCCCNC(=O)c1ccc(O)c(O)c1)c1ccc(O)c(O)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.39
CNR2 P34972 3/20 0.35
SMPD1 P17405 3/20 0.34
MCHR1 Q99705 3/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
ALDH1A1 P00352 1/20 0.32
F10 P00742 1/20 0.31
NPY5R Q15761 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
SCHEMBL3480325 1.00 XDH (0.39) XDHCNR2SMPD1MCHR1CA1
SCHEMBL3480294 0.96 XDH (0.35) XDHCNR2SMPD1CA1CA2
SCHEMBL4155689 0.88 XDH (0.39) XDHCNR2SMPD1MCHR1CA1
SCHEMBL3480605 0.87 TOP1 (0.35) XDHCNR2SMPD1ALDH1A1
SCHEMBL3480637 0.87 CNR2 (0.37) CNR2ALDH1A1F10
SCHEMBL3480412 0.84 RAB9A (0.36) ALDH1A1
SCHEMBL3480229 0.84 NPY5R (0.39) NPY5R
SCHEMBL3480682 0.84 RAB9A (0.36) MCHR1ALDH1A1
SCHEMBL3480271 0.84 RAB9A (0.43) F10
SCHEMBL3480317 0.83 XDH (0.33) XDHMCHR1

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
US-20100317625-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE 92229129 QUEBEC INC. (CA) 2010-12-16 US claimed
EP-2024376-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE Merck & Co., Inc. (US) 2009-02-18 EP claimed
WO-2007139729-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE MERCK & CO., INC. (US) 2007-12-06 WO claimed
US-20100317625-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE 92229129 QUEBEC INC. (CA) 2010-12-16 US 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-20100317625-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE MGAM, BPGM, PPME1 XDH 982/4885CNR2 4748/4885SMPD1 14/4885

“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.