SCHEMBL4510315

SCHEMBL4510315

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

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.32
TRPA1 O75762 1/20 0.31
RORC P51449 1/20 0.30

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
SCHEMBL4501987 0.89 ESR1 (0.33) ESR1TRPA1
SCHEMBL4492121 0.89 ESR1 (0.33) ESR1TRPA1
SCHEMBL4509281 0.87 LMNA (0.37)
SCHEMBL4500212 0.87 ESR1 (0.33) ESR1TRPA1RORC
SCHEMBL4493256 0.84 AR (0.32) ESR1TRPA1
SCHEMBL4492185 0.80 ESR1 (0.34) ESR1TRPA1
SCHEMBL4499943 0.79 MMP2 (0.34) ESR1
SCHEMBL4493108 0.76 MMP2 (0.36) ESR1RORC
SCHEMBL4485758 0.76 LMNA (0.43)
SCHEMBL4482535 0.75 AR (0.33) ESR1

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 ESR1 1/4885TRPA1 2116/4885RORC 284/4885

“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.