SCHEMBL4492185

SCHEMBL4492185

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

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.34
TSHR P16473 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TRPA1 O75762 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
CHRNA7 P36544 1/20 0.31
PTGS2 P35354 3/20 0.31
PTGS1 P23219 1/20 0.31
NOD2 Q9HC29 1/20 0.31
NOD1 Q9Y239 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
SCHEMBL4495570 0.90 KMT2A (0.34) TSHRCYP1A2CYP3A4MAPK1CYP2C19
SCHEMBL4496076 0.90 ESR1 (0.35) ESR1TSHRCYP1A2CYP3A4MAPK1
SCHEMBL4490545 0.90 ESR1 (0.35) ESR1TSHRCYP1A2CYP3A4MAPK1
SCHEMBL4492935 0.90 ESR1 (0.35) ESR1TSHRCYP1A2CYP3A4MAPK1
SCHEMBL4499454 0.89 HSD17B3 (0.35) TSHRCYP1A2CYP3A4MAPK1CYP2C19
SCHEMBL4488107 0.89 ESR1 (0.40) ESR1TSHRCYP1A2CYP3A4MAPK1
SCHEMBL4504387 0.89 CYP1A2 (0.40) ESR1TSHRCYP1A2CYP3A4MAPK1
SCHEMBL4491872 0.88 ESR1 (0.34) ESR1TSHRCYP1A2CYP3A4MAPK1
SCHEMBL4481846 0.88 ESR1 (0.35) ESR1TSHRCYP1A2CYP3A4MAPK1
SCHEMBL4498334 0.88 PSEN1 (0.37) ESR1TSHRCHRNA7

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 ESR1 1/4885TSHR 224/4885CYP1A2 1260/4885

“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.