SCHEMBL3480129

SCHEMBL3480129

CCOC(=O)c1ccc(OCCCN)c(OCCCN)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.52
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
CYP1A2 P05177 2/20 0.49
LMNA P02545 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAOA P21397 1/20 0.49
CYP2D6 P10635 1/20 0.47
TSHR P16473 1/20 0.47
SLC6A2 P23975 1/20 0.47
SCN1A P35498 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KCNH2 Q12809 1/20 0.47
HIF1A Q16665 1/20 0.47
SCN2A Q99250 1/20 0.47
SCN3A Q9NY46 1/20 0.47

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
SCHEMBL8358255 0.88 CYP1A2 (0.55) HSD17B2CA12CA1CA2CA7
SCHEMBL3480225 0.87 HSD17B2 (0.54) HSD17B2CA12CA1CA2CA7
SCHEMBL1199891 0.87 SMPD1 (0.56) HSD17B2CA12CA1CA2CA7
SCHEMBL300248 0.87 HSD17B2 (0.54) HSD17B2CA12CA1CA2CA7
SCHEMBL5152090 0.86 HSD17B2 (0.61) HSD17B2LMNATSHRPOLBALDH1A1
SCHEMBL1201551 0.85 SMPD1 (0.58) HSD17B2ALDH1A1ESR1NPC1RAB9A
SCHEMBL1011945 0.84 HSD17B2 (0.61) HSD17B2CA12CA1CA2CA7
SCHEMBL263238 0.84 HSD17B2 (0.57) HSD17B2CA12CA1CA2CA7
SCHEMBL6259180 0.83 PRSS1 (0.56) LMNAPOLBALDH1A1L3MBTL1NPC1
Hydrochloric Acid SCHEMBL6259177 0.82 PRSS1 (0.57) LMNAPOLBNPSR1ALDH1A1L3MBTL1

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 3 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 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 HSD17B2 2930/4885CA12 4357/4885CA1 4284/4885

“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.