SCHEMBL78629

SCHEMBL78629

CNC(=O)Oc1ccccc1SCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.54
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 2/20 0.48
MAPK1 P28482 2/20 0.48
PGR P06401 1/20 0.48
GAA P10253 1/20 0.48
PTGS1 P23219 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ACHE P22303 1/20 0.48
POLB P06746 1/20 0.44
PTPRC P08575 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL8482896 0.83 PTGS2 (0.56) PTGS2KMT2AL3MBTL1MAPK1POLB
SCHEMBL11343630 0.81 ALDH1A1 (0.49) PTGS2ALDH1A1MAPK1PGRGAA
SCHEMBL11857260 0.80 PPARD (0.57) KMT2AL3MBTL1ALDH1A1MAPK1PGR
SCHEMBL80046 0.79 ALDH1A1 (0.55) PTGS2ALDH1A1MAPK1PGRGAA
SCHEMBL78292 0.79 ALDH1A1 (0.48) PTGS2ALDH1A1MAPK1PGRGAA
SCHEMBL11301512 0.78 PTGS2 (0.72) PTGS2ALDH1A1MAPK1PGRGAA
SCHEMBL78114 0.78 PTGS2 (0.49) PTGS2ALDH1A1MAPK1PGRGAA
SCHEMBL80588 0.78 PTGS2 (0.48) PTGS2ALDH1A1MAPK1PGRGAA
SCHEMBL78354 0.78 PTGS2 (0.48) PTGS2ALDH1A1MAPK1PGRGAA
SCHEMBL80510 0.77 ALDH1A1 (0.49) PTGS2ALDH1A1MAPK1PGRGAA

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-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
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 PTGS2 2891/4885KMT2A 309/4885L3MBTL1 643/4885
US-20120122970-A1 INSECTICIDAL CARBAMATES EXHIBITING SPECIES-SELECTIVE INHIBITION OF ACETYLCHOLINESTERASE (AChE) ACHE, BCHE, CHAT PTGS2 2891/4885KMT2A 309/4885L3MBTL1 643/4885

“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.