SCHEMBL4498334

SCHEMBL4498334

CCC1c2cccn2-c2ccc(Cl)cc2N1S(=O)(=O)c1ccc(O)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
ESR1 P03372 9/20 0.36
PTPN1 P18031 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GBA1 P04062 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
POLB P06746 1/20 0.32
CHRNA7 P36544 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
SCHEMBL4488107 0.89 ESR1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4492185 0.88 ESR1 (0.34) ESR1TSHRCHRNA7
SCHEMBL4481846 0.88 ESR1 (0.35) ESR1TSHR
SCHEMBL4504387 0.87 CYP1A2 (0.40) ESR1LMNATSHR
SCHEMBL4490545 0.86 ESR1 (0.35) ESR1MEN1KMT2ALMNATSHR
SCHEMBL4492935 0.86 ESR1 (0.35) ESR1MEN1KMT2ALMNATSHR
SCHEMBL4496076 0.86 ESR1 (0.35) ESR1MEN1KMT2ALMNATSHR
SCHEMBL4491872 0.84 ESR1 (0.34) ESR1LMNATSHR
SCHEMBL4488144 0.84 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4499454 0.82 HSD17B3 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A

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 PSEN1 3058/4885PSEN2 3454/4885APH1B 4249/4885

“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.