SCHEMBL4485758

SCHEMBL4485758

CCC1c2ccc(C)n2-c2ccc(F)cc2N1S(=O)(=O)c1ccc(OC)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 3/20 0.39
TSHR P16473 2/20 0.39
GAA P10253 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH3A1 P30838 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
USP2 O75604 1/20 0.36
PKM P14618 1/20 0.36
NPC1 O15118 1/20 0.36
HTR6 P50406 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL4509281 0.90 LMNA (0.37) LMNAALDH1A1MAPTHTTTSHR
SCHEMBL4492631 0.89 LMNA (0.37) LMNAALDH1A1MAPTHTTTSHR
SCHEMBL4492121 0.87 ESR1 (0.33) LMNAALDH1A1MAPTHTTTSHR
SCHEMBL4492403 0.85 GAA (0.39) LMNAALDH1A1MAPTHTTTSHR
SCHEMBL4502189 0.79 LMNA (0.38) LMNAALDH1A1MAPTHTTTSHR
SCHEMBL4498533 0.79 LMNA (0.38) LMNAALDH1A1MAPTHTTTSHR
SCHEMBL4485134 0.79 LMNA (0.38) LMNAALDH1A1MAPTHTTTSHR
SCHEMBL4501987 0.79 ESR1 (0.33) HTTTSHRNPSR1
SCHEMBL4500212 0.78 ESR1 (0.33) ALDH1A1
SCHEMBL4495697 0.77 LMNA (0.40) LMNAALDH1A1MAPTHTTTSHR

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 3 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
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 LMNA 3776/4885ALDH1A1 2755/4885MAPT 3956/4885

“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.