SCHEMBL3480064

SCHEMBL3480064

ClCCOc1cc2ncsc2cc1OCCCl

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
HKDC1 Q2TB90 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SLC6A4 P31645 1/20 0.34
PKM P14618 2/20 0.33
DYRK1A Q13627 1/20 0.33
PDE4B Q07343 1/20 0.32
PDE4D Q08499 1/20 0.32

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
SCHEMBL3480326 0.93 ALDH1A1 (0.34) ALDH1A1HSD17B10KDM4EMEN1KMT2A
SCHEMBL11121899 0.78 PTK6 (0.43) ALDH1A1HSD17B10KDM4EMEN1KMT2A
SCHEMBL927420 0.73 PTK6 (0.41) ALDH1A1HSD17B10KDM4EMEN1KMT2A
SCHEMBL30702433 0.73 PTK6 (0.41) ALDH1A1HSD17B10KDM4EMEN1KMT2A
SCHEMBL29751999 0.71 STAT3 (0.44) ALDH1A1HSD17B10LMNACYP1A2CYP2C19
SCHEMBL3480328 0.71 CYP3A4 (0.46) ALDH1A1HSD17B10LMNACYP1A2CYP2D6
SCHEMBL3480101 0.71 STING1 (0.31) NPC1RAB9A
SCHEMBL9297465 0.71 SMN1; SMN2 (0.52) ALDH1A1HSD17B10LMNATDP1NPC1
SCHEMBL4296143 0.71 ALDH1A1 (0.52) ALDH1A1HSD17B10KDM4EMEN1KMT2A
SCHEMBL4560336 0.69 ALDH1A1 (0.50) ALDH1A1HSD17B10KDM4EMEN1KMT2A

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 2755/4885HSD17B10 1958/4885KDM4E 2363/4885
US-20100279983-A1 NOVEL INHIBITORS OF BETA-LACTAMASE MGAM, MGAM2, PGLS ALDH1A1 2190/4885HSD17B10 1331/4885KDM4E 1076/4885

“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.