SCHEMBL4496255

SCHEMBL4496255

CCC1c2ccc(C#N)n2-c2cc(F)c(F)cc2N1S(=O)(=O)c1cccc(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
CHRM5 P08912 1/20 0.34
KDM2B Q8NHM5 1/20 0.33
PAX8 Q06710 1/20 0.33
HTR7 P34969 2/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
PKM P14618 2/20 0.32
MET P08581 1/20 0.32
CTSG P08311 1/20 0.32
CMA1 P23946 1/20 0.32
PKLR P30613 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 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
SCHEMBL4498533 0.84 LMNA (0.38) LMNATSHRPKM
SCHEMBL4502189 0.84 LMNA (0.38) LMNATSHRPKM
SCHEMBL4496438 0.82 AR (0.35)
SCHEMBL4497396 0.82 AR (0.35)
SCHEMBL4488494 0.81 CA1 (0.34) CA1CA2CA9
SCHEMBL4496499 0.80 MAPK1 (0.43) LMNATSHRMAPK1CHRM5KDM2B
SCHEMBL4492631 0.76 LMNA (0.37) LMNATSHRPKMHTR6
SCHEMBL4498595 0.73 LMNA (0.40) LMNATSHRMAPK1CHRM5KDM2B
SCHEMBL4501030 0.73 MMP8 (0.38) TSHRMAPK1PAX8
SCHEMBL4492660 0.72 HSD11B1 (0.33)

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-7563793-B2 Pyrrolo[1,2-a]quinoxalin-5-(4H)-yl)sulfonyls and carbonyls and their use as estrogenic agents WYETH (US) 2009-07-21 US disclosed
US-20060160815-A1 Pyrrolo[1,2-a]quinoxalin-5-(4H)-yl)sulfonyls and carbonyls and their use as estrogenic agents WYETH (US) 2006-07-20 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 (1 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-20060160815-A1 Pyrrolo[1,2-a]quinoxalin-5-(4H)-yl)sulfonyls and carbonyls and their use as estrogenic agents ESR1, GPER1, ESR2 LMNA 3776/4885TSHR 224/4885MAPK1 1575/4885

“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.