SCHEMBL4492403

SCHEMBL4492403

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
LMNA P02545 4/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
ALDH3A1 P30838 1/20 0.37
HTR6 P50406 3/20 0.36
KDM4E B2RXH2 1/20 0.35
TSHR P16473 2/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
USP2 O75604 1/20 0.35
PKM P14618 1/20 0.35
NPC1 O15118 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL4495697 0.90 LMNA (0.40) GAALMNAALDH1A1MAPTL3MBTL1
SCHEMBL4501667 0.90 POLB (0.41) LMNAALDH1A1MAPTHTR6HTT
SCHEMBL4501552 0.90 LMNA (0.39) GAALMNAALDH1A1MAPTL3MBTL1
SCHEMBL4510121 0.89 LMNA (0.42) GAALMNAALDH1A1L3MBTL1ALDH3A1
SCHEMBL4495291 0.89 GAA (0.49) GAALMNAALDH1A1MAPTL3MBTL1
SCHEMBL4508680 0.89 MEN1 (0.32) TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL4498611 0.87 GAA (0.41) GAALMNAALDH1A1MAPTL3MBTL1
SCHEMBL4492185 0.87 ESR1 (0.34) TSHRSMN1; SMN2
SCHEMBL4485758 0.85 LMNA (0.43) GAALMNAALDH1A1MAPTL3MBTL1
SCHEMBL4482414 0.85 MAPK1 (0.39) LMNAALDH1A1L3MBTL1HTR6KDM4E

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 GAA 4393/4885LMNA 3776/4885ALDH1A1 2755/4885

“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.