SCHEMBL3480358

SCHEMBL3480358

CCc1csc2c(F)c(OCC(=O)OC)c(OCC(=O)OC)c(F)c12

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
CYP1A2 P05177 1/20 0.36
HMGCR P04035 1/20 0.36
ALDH1A1 P00352 5/20 0.33
LMNA P02545 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
F2RL1 P55085 2/20 0.33
KDM4E B2RXH2 3/20 0.32
HPGD P15428 2/20 0.32
MAPK1 P28482 1/20 0.32
IGF1R P08069 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CXCR1 P25024 2/20 0.31
CXCR2 P25025 2/20 0.31
PPARD Q03181 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
SCHEMBL3480427 0.85 KMT2A (0.37) KMT2AMEN1CYP1A2HMGCRALDH1A1
SCHEMBL3480223 0.79 F2RL1 (0.33) F2RL1HSD17B10
SCHEMBL3480183 0.76 F2RL1 (0.32) F2RL1
SCHEMBL3480259 0.76 F2RL1 (0.32) F2RL1
SCHEMBL3480207 0.72 KMT2A (0.47) KMT2AMEN1CYP1A2ALDH1A1LMNA
SCHEMBL3480677 0.70 F2RL1 (0.36) F2RL1
SCHEMBL4832334 0.63 SMN1; SMN2 (0.43) KMT2AMEN1CYP1A2ALDH1A1LMNA
SCHEMBL21574498 0.62 KDM4E (0.40) KMT2AMEN1CYP1A2ALDH1A1LMNA
SCHEMBL18377178 0.61 LMNA (0.44) KMT2AMEN1CYP1A2HMGCRALDH1A1
SCHEMBL7708983 0.61 LMNA (0.44) KMT2AMEN1CYP1A2HMGCRALDH1A1

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 KMT2A 2187/4885MEN1 3104/4885CYP1A2 2728/4885
US-20100279983-A1 NOVEL INHIBITORS OF BETA-LACTAMASE MGAM, MGAM2, PGLS KMT2A 1158/4885MEN1 2900/4885CYP1A2 2473/4885

“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.