SCHEMBL3480759

SCHEMBL3480759

O=C(NCCOc1cc2cc(S(=O)(=O)NCP(=O)(O)O)sc2cc1OCCNC(=O)c1cccc2ccccc12)c1cccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITPR1 Q14643 1/20 0.39
HPGD P15428 3/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HDAC1 Q13547 2/20 0.36
PPARG P37231 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ATM Q13315 1/20 0.34
MCL1 Q07820 1/20 0.34
AURKA O14965 2/20 0.34
MET P08581 2/20 0.34
KDR P35968 2/20 0.34
TEK Q02763 2/20 0.34
LCK P06239 1/20 0.34
LYN P07948 1/20 0.34
FLT1 P17948 1/20 0.34
AURKB Q96GD4 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC4 P56524 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
SCHEMBL3480251 0.89 ALOX5 (0.38) HPGDKDM4EALDH1A1HDAC1NPC1
SCHEMBL12979688 0.83 TRPV4 (0.34) ITPR1HPGDKDM4EALDH1A1
SCHEMBL3480637 0.82 CNR2 (0.37) HPGDALDH1A1NPC1RAB9APOLB
SCHEMBL3480412 0.80 RAB9A (0.36) HPGDKDM4EALDH1A1NPC1RAB9A
SCHEMBL14344955 0.77 TRPV4 (0.34) HPGDKDM4EALDH1A1NPC1RAB9A
SCHEMBL3480166 0.77 INPPL1 (0.30)
SCHEMBL16666550 0.77 TPSAB1 (0.31)
SCHEMBL3480325 0.77 XDH (0.39) ALDH1A1
SCHEMBL3923115 0.77 CA2 (0.38)
SCHEMBL16667292 0.76 TPSAB1 (0.33)

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 2 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
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 ITPR1 1326/4885HPGD 2411/4885KDM4E 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.