SCHEMBL3480375

SCHEMBL3480375

COc1ccc(S(=O)(=O)C(F)(F)F)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
EPAS1 Q99814 3/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP1B1 Q16678 1/20 0.41
PKM P14618 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
CPS1 P31327 2/20 0.40
KAT6A Q92794 1/20 0.40
PTGS2 P35354 1/20 0.40
VEGFA P15692 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
HSD11B1 P28845 1/20 0.39

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
SCHEMBL29503477 0.79 PTGS2 (0.50) SMN1; SMN2GAAMAPK1KMT2ACYP1A1
SCHEMBL27949851 0.79 CYP1A1 (0.47) SMN1; SMN2GAAMAPK1KMT2ACYP1A1
SCHEMBL19743928 0.79 PTGS2 (0.50) SMN1; SMN2GAAMAPK1KMT2ACYP1A1
SCHEMBL30540030 0.79 TRPV4 (0.47) SMN1; SMN2GAAMAPK1KMT2ACYP1A1
SCHEMBL1817484 0.79 TRPV4 (0.47) SMN1; SMN2GAAMAPK1KMT2ACYP1A1
SCHEMBL24010102 0.77 SMN1; SMN2 (0.47) SMN1; SMN2GAAMAPK1KMT2ACYP1A1
Hydrochloric Acid SCHEMBL28128745 0.77 CYP1A1 (0.46) SMN1; SMN2GAAMAPK1KMT2ACYP1A1
SCHEMBL3480773 0.76 POLB (0.49) SMN1; SMN2MAPK1KMT2APKMALDH1A1
SCHEMBL22492257 0.75 SMN1; SMN2 (0.48) SMN1; SMN2GAAMAPK1KMT2ACYP1A1
SCHEMBL5980992 0.73 GAA (0.43) SMN1; SMN2GAAMAPK1KMT2ACYP1A1

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 SMN1; SMN2 3461/4885GAA 44/4885MAPK1 3571/4885
US-20100279983-A1 NOVEL INHIBITORS OF BETA-LACTAMASE MGAM, MGAM2, PGLS SMN1; SMN2 3467/4885GAA 13/4885MAPK1 2975/4885

“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.