SCHEMBL3483598

SCHEMBL3483598

COc1ccc(OC(=S)N(C)C)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 2/20 0.41
RAB9A P51151 2/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
HPGD P15428 4/20 0.39
RAD52 P43351 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
BACE1 P56817 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PTPN7 P35236 3/20 0.38
DUSP3 P51452 3/20 0.38
CPS1 P31327 1/20 0.38

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
SCHEMBL3483216 0.81 L3MBTL1 (0.48) ALDH1A1LMNAHTTRAB9ACA12
SCHEMBL8846907 0.79 ALDH1A1 (0.40) ALDH1A1LMNARAB9AHPGDL3MBTL1
SCHEMBL3611178 0.77 ALDH1A1 (0.42) ALDH1A1LMNAHTTRAB9ACA12
SCHEMBL9217561 0.76 KDM4E (0.49) ALDH1A1LMNAHTTRAB9AHPGD
SCHEMBL4802368 0.75 ALDH1A1 (0.63) ALDH1A1LMNAHTTRAB9AHPGD
SCHEMBL10896908 0.75 RAB9A (0.59) ALDH1A1LMNAHTTRAB9ACA12
SCHEMBL1534102 0.75 ALDH1A1 (0.48) ALDH1A1HTTRAB9AHPGDMEN1
SCHEMBL28782473 0.75 BACE1 (0.56) ALDH1A1LMNAHTTRAB9AHPGD
SCHEMBL370408 0.74 CA12 (0.62) ALDH1A1LMNAHTTRAB9ACA12
SCHEMBL29809608 0.74 CA12 (0.62) ALDH1A1LMNAHTTRAB9ACA12

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2049200-A2 NOVEL INHIBITORS OF BETA-LACTAMASE MethylGene Inc. (CA) 2009-04-22 EP disclosed
WO-2008073142-A2 NOVEL INHIBITORS OF BETA-LACTAMASE MERCK & CO., INC. (US) 2008-06-19 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 (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 ALDH1A1 2190/4885LMNA 1792/4885HTT 4827/4885

“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.