SCHEMBL3480682

SCHEMBL3480682

O=C(NCCOc1cc2cc(S(=O)(=O)NCP(=O)(O)O)sc2cc1OCCNC(=O)c1cccc(O)c1)c1cccc(O)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.36
MCHR1 Q99705 5/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.34
ALDH1A1 P00352 2/20 0.34
LIPC P11150 1/20 0.34
NAMPT P43490 1/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33

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
SCHEMBL3480271 0.91 RAB9A (0.43) RAB9AKMT2APOLBNPC1HPGD
SCHEMBL3480637 0.90 CNR2 (0.37) RAB9AKMT2APOLBALDH1A1LIPC
SCHEMBL3480229 0.89 NPY5R (0.39) RAB9ANPC1HPGDSMN1; SMN2PDE4A
SCHEMBL3480294 0.88 XDH (0.35) RAB9AKDM4EMEN1MAPK1KMT2A
SCHEMBL3480412 0.86 RAB9A (0.36) RAB9AKDM4EMEN1MAPK1KMT2A
SCHEMBL3480759 0.85 ITPR1 (0.39) RAB9AKDM4EPOLBALDH1A1NPC1
SCHEMBL3480325 0.84 XDH (0.39) MCHR1ALDH1A1
SCHEMBL3480053 0.84 XDH (0.39) MCHR1ALDH1A1
SCHEMBL13021140 0.83 MCHR1 (0.34) RAB9AMCHR1
SCHEMBL3923115 0.79 CA2 (0.38)

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 6 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
EP-2024376-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE Merck & Co., Inc. (US) 2009-02-18 EP disclosed
WO-2007139729-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE MERCK & CO., INC. (US) 2007-12-06 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-20100317625-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE MGAM, BPGM, PPME1 RAB9A 1592/4885MCHR1 4801/4885KDM4E 2363/4885

“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.