SCHEMBL4501552

SCHEMBL4501552

CCC1c2cccn2-c2cc(OC)c(F)cc2N1S(=O)(=O)c1ccc(OC)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
GAA P10253 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH3A1 P30838 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TSHR P16473 3/20 0.36
HTT P42858 3/20 0.36
PTGS2 P35354 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 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
NPSR1 Q6W5P4 1/20 0.35
PTGS1 P23219 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 0.97 LMNA (0.40) LMNAGAAL3MBTL1ALDH3A1MEN1
SCHEMBL4492403 0.90 GAA (0.39) LMNAGAAL3MBTL1ALDH3A1MEN1
SCHEMBL4510121 0.88 LMNA (0.42) LMNAGAAL3MBTL1ALDH3A1MEN1
SCHEMBL4500226 0.87 MEN1 (0.37) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4495291 0.86 GAA (0.49) LMNAGAAL3MBTL1ALDH3A1MEN1
SCHEMBL4490545 0.83 ESR1 (0.35) LMNAGAAMEN1KMT2ATSHR
SCHEMBL4492935 0.83 ESR1 (0.35) LMNAGAAMEN1KMT2ATSHR
SCHEMBL4496076 0.83 ESR1 (0.35) LMNAGAAMEN1KMT2ATSHR
SCHEMBL4491872 0.82 ESR1 (0.34) LMNATSHRHTTSMN1; SMN2NPSR1
SCHEMBL4496499 0.81 MAPK1 (0.43) LMNAL3MBTL1TSHRSMN1; SMN2TDP1

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 LMNA 3776/4885GAA 4393/4885L3MBTL1 4605/4885

“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.