SCHEMBL3484064

SCHEMBL3484064

O=C(O)COc1c(OCC(=O)O)c(F)c2sccc2c1F

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CD69 Q07108 3/20 0.42
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 1/20 0.40
PTPN1 P18031 4/20 0.40
PTPN2 P17706 2/20 0.40
ALOX15 P16050 1/20 0.37
PKM P14618 1/20 0.36
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PTPRC P08575 1/20 0.34
GAA P10253 1/20 0.34
HIF1A Q16665 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
POLB P06746 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
SCHEMBL3480207 0.84 KMT2A (0.47) SMN1; SMN2KMT2AKDM4EALDH1A1
SCHEMBL3480323 0.74 DYRK1A (0.30)
SCHEMBL3480301 0.74 DYRK1A (0.30)
SCHEMBL3480388 0.71 MAPT (0.34) TSHRSMN1; SMN2KDM4EALDH1A1
SCHEMBL4132118 0.69 GPR35 (0.57) CD69PTPN1PTPN2PTPRC
SCHEMBL21050993 0.69 DYRK1A (0.34)
SCHEMBL503651 0.67 SMN1; SMN2 (0.70) CD69TSHRSMN1; SMN2KMT2APTPN1
SCHEMBL3483324 0.67
SCHEMBL3483177 0.66 HSD17B10 (0.38) TSHRSMN1; SMN2KDM4EALDH1A1
SCHEMBL6743196 0.65 KMT2A (0.60) CD69TSHRSMN1; SMN2KMT2AALOX15

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
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-20100279983-A1 NOVEL INHIBITORS OF BETA-LACTAMASE METHYLGENE INC. 2010-11-04 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-20100279983-A1 NOVEL INHIBITORS OF BETA-LACTAMASE MGAM, MGAM2, PGLS CD69 4525/4885TSHR 4294/4885SMN1; SMN2 3467/4885

“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.