Sugi Predict

Sugi Predict / Compounds / SCHEMBL4493108

SCHEMBL4493108

SCHEMBL4493108

CCC1c2ccc(F)n2-c2ccc(F)cc2N1S(=O)(=O)c1ccc(O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 2/20 0.36
▸ PSEN1 P49768 6/20 0.35
▸ PSEN2 P49810 6/20 0.35
▸ APH1B Q8WW43 6/20 0.35
▸ NCSTN Q92542 6/20 0.35
▸ APH1A Q96BI3 6/20 0.35
▸ PSENEN Q9NZ42 6/20 0.35
▸ ESR1 P03372 1/20 0.34
▸ NOD2 Q9HC29 1/20 0.33
▸ NOD1 Q9Y239 1/20 0.33
▸ RORC P51449 3/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ CYP1A2 P05177 2/20 0.31
▸ CYP3A4 P08684 2/20 0.31
▸ CYP2C9 P11712 2/20 0.31
▸ CYP2C19 P33261 2/20 0.31
▸ USP2 O75604 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ HSD17B10 Q99714 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
SCHEMBL4508584 0.89 MMP2 (0.34) MMP2PSEN1PSEN2APH1BNCSTN
SCHEMBL4501987 0.88 ESR1 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4495988 0.87 NOD2 (0.34) MMP2PSEN1PSEN2APH1BNCSTN
SCHEMBL4492660 0.87 HSD11B1 (0.33) MMP2PSEN1PSEN2APH1BNCSTN
SCHEMBL4496382 0.84 MMP8 (0.40) MMP2PSEN1PSEN2APH1BNCSTN
SCHEMBL4502313 0.82 MMP2 (0.37) MMP2PSEN1PSEN2APH1BNCSTN
SCHEMBL4867899 0.80 BRD4 (0.42) MMP2PSEN1PSEN2APH1BNCSTN
SCHEMBL4492121 0.79 ESR1 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4869264 0.79 PARK7 (0.42) MMP2PSEN1PSEN2APH1BNCSTN
SCHEMBL4869269 0.78 MMP2 (0.42) MMP2PSEN1PSEN2APH1BNCSTN

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 6 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
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 MMP2 4256/4885PSEN1 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.