SCHEMBL4503282

SCHEMBL4503282

C[C@H]1c2ccc(F)n2-c2cc(F)c(F)cc2N1S(=O)(=O)c1ccc(O)cc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.39
PSEN1 P49768 12/20 0.39
PSEN2 P49810 12/20 0.39
APH1B Q8WW43 12/20 0.39
NCSTN Q92542 12/20 0.39
APH1A Q96BI3 12/20 0.39
PSENEN Q9NZ42 12/20 0.39
MMP2 P08253 2/20 0.36
ENPP2 Q13822 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL4488731 1.00 ESR1 (0.39) ESR1PSEN1PSEN2APH1BNCSTN
SCHEMBL4490662 1.00 ESR1 (0.39) ESR1PSEN1PSEN2APH1BNCSTN
SCHEMBL4491924 0.80 ESR1 (0.41) ESR1PSEN1PSEN2APH1BNCSTN
SCHEMBL4508584 0.74 MMP2 (0.34) ESR1PSEN1PSEN2APH1BNCSTN
SCHEMBL4493108 0.74 MMP2 (0.36) ESR1PSEN1PSEN2APH1BNCSTN
SCHEMBL4499943 0.72 MMP2 (0.34) ESR1PSEN1PSEN2APH1BNCSTN
SCHEMBL4502217 0.71 AR (0.35) ESR1PSEN1PSEN2APH1BNCSTN
SCHEMBL4497396 0.71 AR (0.35) ESR1PSEN1PSEN2APH1BNCSTN
SCHEMBL4496438 0.71 AR (0.35) ESR1PSEN1PSEN2APH1BNCSTN
SCHEMBL4499250 0.71 PSEN1 (0.43) ESR1PSEN1PSEN2APH1BNCSTN

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-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 claimed
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 claimed
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
WO-2006068928-A1 PYRROLO[1,2-A]QUINOXALIN-5-(4H)-YL)SULFONYLS AND CARBONYLS AND THEIR USE AS ESTROGENIC AGENTS WYETH (US) 2006-06-29 WO 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 ESR1 1/4885PSEN1 3058/4885PSEN2 3454/4885

“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.