SCHEMBL3480455

SCHEMBL3480455

CCc1csc2cc(O)c(O)cc12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MTNR1A P48039 5/20 0.39
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
GPR35 Q9HC97 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
CA2 P00918 1/20 0.36
MTNR1B P49286 1/20 0.35
CYP2A6 P11509 3/20 0.34
DAO P14920 1/20 0.34
DDO Q99489 1/20 0.34
LMNA P02545 1/20 0.34
SRC P12931 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
SCHEMBL5858564 0.73 ALDH1A1 (0.44) ALDH1A1MAPTHSD17B10GPR35SRC
SCHEMBL3480270 0.73 MAOA (0.47) MTNR1ACA2MTNR1B
SCHEMBL10266973 0.71 CA2 (0.60) MAPTMTNR1AKEAP1NFE2L2CA2
SCHEMBL10224643 0.71 MTNR1A (0.62) MTNR1AKEAP1NFE2L2CA2MTNR1B
SCHEMBL10222343 0.71 MTNR1A (0.48) ALDH1A1MAPTHSD17B10MTNR1ACA2
SCHEMBL13218575 0.69 KEAP1 (0.49) ALDH1A1MTNR1AKEAP1NFE2L2MTNR1B
SCHEMBL14048575 0.69 MTNR1A (0.46) ALDH1A1MAPTHSD17B10MTNR1ACA2
SCHEMBL6002566 0.69 CYP2A6 (0.50) MAPTKEAP1NFE2L2CA2CYP2A6
SCHEMBL21887498 0.69 MTNR1A (0.43) MTNR1AKEAP1NFE2L2CA2MTNR1B
SCHEMBL156931 0.69 CYP2A6 (0.69) MAPTMTNR1AKEAP1NFE2L2CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20100317625-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE 92229129 QUEBEC INC. (CA) 2010-12-16 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
EP-2024376-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE Merck & Co., Inc. (US) 2009-02-18 EP disclosed
WO-2008073142-A2 NOVEL INHIBITORS OF BETA-LACTAMASE MERCK & CO., INC. (US) 2008-06-19 WO 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 (2 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 ALDH1A1 2755/4885MAPT 4576/4885HSD17B10 1958/4885
US-20100279983-A1 NOVEL INHIBITORS OF BETA-LACTAMASE MGAM, MGAM2, PGLS ALDH1A1 2190/4885MAPT 3993/4885HSD17B10 1331/4885

“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.