SCHEMBL3480427

SCHEMBL3480427

COC(=O)COc1c(OCC(=O)OC)c(F)c2c(C)csc2c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
LMNA P02545 1/20 0.34
KDM4E B2RXH2 4/20 0.34
MMP1 P03956 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
ALDH1A1 P00352 4/20 0.32
HSD17B10 Q99714 2/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
CXCR1 P25024 2/20 0.32
CXCR2 P25025 2/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HMGCR P04035 1/20 0.32
HTR7 P34969 1/20 0.31
PTGS2 P35354 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
SCHEMBL3480358 0.85 KMT2A (0.36) KMT2AMEN1CYP1A2LMNAKDM4E
SCHEMBL3480207 0.73 KMT2A (0.47) KMT2AMEN1CYP1A2LMNAKDM4E
SCHEMBL21574498 0.69 KDM4E (0.40) KMT2AMEN1CYP1A2LMNAKDM4E
SCHEMBL15516922 0.65 MMP1 (0.48) KMT2AMEN1LMNAKDM4EMMP1
SCHEMBL10428803 0.65 KMT2A (0.57) KMT2AMEN1LMNAMMP1MMP9
SCHEMBL4832334 0.64 SMN1; SMN2 (0.43) KMT2AMEN1CYP1A2LMNAKDM4E
SCHEMBL9023776 0.64 LMNA (0.42) KMT2AMEN1CYP1A2LMNAKDM4E
SCHEMBL3681218 0.64 HSP90AB1 (0.47) KMT2AMEN1LMNAKDM4EMMP1
SCHEMBL20607419 0.64 KMT2A (0.47) KMT2AMEN1CYP1A2LMNAKDM4E
SCHEMBL3480385 0.64 LMNA (0.46) KMT2AMEN1CYP1A2LMNAKDM4E

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
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-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 (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.