SCHEMBL89735

SCHEMBL89735

C=CCc1ccsc1OC(=O)NC

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
HSD17B10 Q99714 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 1/20 0.34
ALOX5 P09917 2/20 0.33
ACHE P22303 2/20 0.32
BCHE P06276 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP14 P50281 1/20 0.32
PTGS1 P23219 2/20 0.32
PGR P06401 1/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
ELANE P08246 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
SCHEMBL11667344 0.80 ELANE (0.33) ALDH1A1MAPTALOX5MEN1KMT2A
SCHEMBL8854006 0.73 GABRA1 (0.34) ALDH1A1ALOX5PTGS1
SCHEMBL11757418 0.73 ALDH1A1 (0.51) ALDH1A1HSD17B10KDM4EMAPTACHE
SCHEMBL15056035 0.70 GABRA1 (0.33) ALOX5PTGS1
SCHEMBL2878775 0.70 GABRA1 (0.30)
SCHEMBL29882 0.66 PTPRC (0.42) KMT2A
SCHEMBL11287523 0.66 ALDH1A1 (0.41) ALDH1A1MAPTACHEBCHEMEN1
SCHEMBL11335096 0.66 KEAP1 (0.36) ALDH1A1HSD17B10KDM4EMAPTMEN1
SCHEMBL10768728 0.66 HDAC1 (0.38) ALDH1A1HSD17B10KDM4ENPC1RAB9A
SCHEMBL28804025 0.65 BCAT2 (0.42) ALDH1A1HSD17B10MAPTALOX5MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8618162-B2 Insecticidal carbamates exhibiting species-selective inhibition of acetylcholinesterase (AChE) VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2013-12-31 US disclosed
US-20120122970-A1 INSECTICIDAL CARBAMATES EXHIBITING SPECIES-SELECTIVE INHIBITION OF ACETYLCHOLINESTERASE (AChE) VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY 2012-05-17 US disclosed
US-8129428-B2 Insecticidal carbamates exhibiting species-selective inhibition of acetylcholinesterase (AChE) VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2012-03-06 US disclosed
WO-2009036235-A2 INSECTICIDAL CARBAMATES EXHIBITING SPECIES-SELECTIVE INHIBITION OF ACETYLCHOLINESTERASE (ACHE) VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2009-03-19 WO disclosed
US-20090068242-A1 INSECTICIDAL CARBAMATES EXHIBITING SPECIES-SELECTIVE INHIBITION OF ACETYLCHOLINESTERASE (AChE) VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY 2009-03-12 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 (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-20090068242-A1 INSECTICIDAL CARBAMATES EXHIBITING SPECIES-SELECTIVE INHIBITION OF ACETYLCHOLINESTERASE (AChE) ACHE, BCHE, CHAT ALDH1A1 960/4885HSD17B10 1503/4885KDM4E 153/4885
US-20120122970-A1 INSECTICIDAL CARBAMATES EXHIBITING SPECIES-SELECTIVE INHIBITION OF ACETYLCHOLINESTERASE (AChE) ACHE, BCHE, CHAT ALDH1A1 960/4885HSD17B10 1503/4885KDM4E 153/4885

“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.