SCHEMBL3480415

SCHEMBL3480415

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
MAPT P10636 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
KMT2A Q03164 1/20 0.45
RELA Q04206 1/20 0.45
CPS1 P31327 4/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 3/20 0.43
CYP1A2 P05177 2/20 0.43
HSD17B10 Q99714 1/20 0.43
GRK6 P43250 1/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
MAOA P21397 1/20 0.41

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
SCHEMBL4804378 0.88 NPC1 (0.45) NPC1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL6954869 0.80 USP7 (0.44) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL11774864 0.80 SMN1; SMN2 (0.53) NPC1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL18680903 0.78 CYP1A2 (0.43) NPC1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL9362310 0.74 MAPT (0.54) NPC1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL11986271 0.73 MTNR1A (0.58) NPC1MAPTRAB9AKMT2AKDM4E
SCHEMBL3890957 0.73 MTNR1A (0.58) NPC1MAPTRAB9AKMT2AKDM4E
SCHEMBL2320215 0.72 POLB (0.47) NPC1MAPTRAB9ASMN1; SMN2CPS1
SCHEMBL22492226 0.72 ALDH1A1 (0.49) NPC1MAPTRAB9ASMN1; SMN2NFKB1
SCHEMBL3484162 0.72 CPS1 (0.43) NPC1RAB9AMEN1KMT2ACPS1

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-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 (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 NPC1 3375/4885MAPT 4576/4885RAB9A 1592/4885
US-20100279983-A1 NOVEL INHIBITORS OF BETA-LACTAMASE MGAM, MGAM2, PGLS NPC1 2466/4885MAPT 3993/4885RAB9A 972/4885

“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.