SCHEMBL4178043

SCHEMBL4178043

CS(=O)(=O)c1ccc(-c2nnc(-c3ccccc3N(CC3=COCO3)Cc3ccccc3)[nH]2)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.38
PTGS1 P23219 2/20 0.38
NR3C1 P04150 4/20 0.35
RORC P51449 3/20 0.35
NR1I2 O75469 1/20 0.33
RORA P35398 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
RORB Q92753 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
SCD O00767 2/20 0.32
FADS1 O60427 1/20 0.32
PGR P06401 1/20 0.32
NR3C2 P08235 1/20 0.32
AR P10275 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
SCHEMBL4173252 0.88 PTGS2 (0.37) PTGS2PTGS1RORCNR1I2RORA
SCHEMBL4176751 0.84 NR3C1 (0.34) NR3C1
SCHEMBL6234882 0.78 PTGS2 (0.36) PTGS2PTGS1SCDFADS1
SCHEMBL4181162 0.78 CXCR2 (0.36) NR3C1
SCHEMBL6234886 0.77 PTGS2 (0.38) PTGS2PTGS1SCDFADS1
SCHEMBL4179120 0.72 SCN2A (0.33)
SCHEMBL4181577 0.70 NOS1 (0.39)
SCHEMBL4178042 0.69 PTGS2 (0.45) PTGS2PTGS1SCDFADS1
SCHEMBL4174291 0.68 CSF1R (0.38)
SCHEMBL4173820 0.68 AGTR1 (0.31)

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 835/4885NR3C1 3725/4885
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents TP53, MCL1, VHL PTGS2 1129/4885PTGS1 835/4885NR3C1 3725/4885

“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.