Sugi Predict

Sugi Predict / Compounds / SCHEMBL4491924

SCHEMBL4491924

SCHEMBL4491924

CC1c2cccn2-c2cc(F)c(F)cc2N1S(=O)(=O)c1ccc(O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.41
▸ PSEN1 P49768 7/20 0.39
▸ PSEN2 P49810 7/20 0.39
▸ APH1B Q8WW43 7/20 0.39
▸ NCSTN Q92542 7/20 0.39
▸ APH1A Q96BI3 7/20 0.39
▸ PSENEN Q9NZ42 7/20 0.39
▸ MMP2 P08253 2/20 0.38
▸ MAPT P10636 1/20 0.37
▸ PTPN2 P17706 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ MITF O75030 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ ALDH1A1 P00352 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
SCHEMBL4499250 0.88 PSEN1 (0.43) ESR1PSEN1PSEN2APH1BNCSTN
SCHEMBL4493610 0.86 ESR1 (0.40) ESR1PSEN1PSEN2APH1BNCSTN
SCHEMBL4495606 0.85 MMP2 (0.39) ESR1PSEN1PSEN2APH1BNCSTN
SCHEMBL4490662 0.80 ESR1 (0.39) ESR1PSEN1PSEN2APH1BNCSTN
SCHEMBL4503282 0.80 ESR1 (0.39) ESR1PSEN1PSEN2APH1BNCSTN
SCHEMBL4488731 0.80 ESR1 (0.39) ESR1PSEN1PSEN2APH1BNCSTN
SCHEMBL4500226 0.78 MEN1 (0.37) ESR1MMP2SMN1; SMN2ALDH1A1
SCHEMBL4489791 0.76 PSEN1 (0.38) ESR1PSEN1PSEN2APH1BNCSTN
SCHEMBL4502313 0.74 MMP2 (0.37) ESR1PSEN1PSEN2APH1BNCSTN
SCHEMBL4502895 0.73 MMP2 (0.36) 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-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
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 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.