SCHEMBL4178042

SCHEMBL4178042

CN(c1ccc2c(c1)OCO2)c1ccccc1-c1nnc(-c2ccc(S(C)(=O)=O)cc2)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.45
PTGS1 P23219 5/20 0.45
SCD O00767 1/20 0.36
FADS1 O60427 1/20 0.36
PTPRC P08575 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL4173249 0.86 PTGS2 (0.42) PTGS2PTGS1
SCHEMBL4176750 0.83 MAP2K4 (0.39) HTTRAB9AL3MBTL1MAPTALOX15
SCHEMBL6234882 0.79 PTGS2 (0.36) PTGS2PTGS1SCDFADS1
SCHEMBL4174946 0.79 MAPT (0.43) PTGS2HTTRAB9AL3MBTL1MAPT
SCHEMBL4181161 0.78 KDR (0.38) HTTMAPT
SCHEMBL4185705 0.76 DYRK1A (0.40) PTGS1HTTRAB9AMAPT
SCHEMBL4178035 0.76 PDE5A (0.48) PTGS2PTGS1RAB9AL3MBTL1MAPT
SCHEMBL4173244 0.72 PDE5A (0.52)
SCHEMBL4179118 0.70 MAP2K4 (0.37) RAB9AMAPTALOX15
SCHEMBL4178043 0.69 PTGS2 (0.38) PTGS2PTGS1SCDFADS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents CHEN XIAOLING 2009-12-24 US disclosed
US-20090048301-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS IMCLONE SYSTEMS INCORPORATED (US) 2009-02-19 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-20090048301-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS TP53, MCL1, VHL PTGS2 1129/4885PTGS1 835/4885SCD 2874/4885
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents TP53, MCL1, VHL PTGS2 1129/4885PTGS1 835/4885SCD 2874/4885

“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.