SCHEMBL4495570

SCHEMBL4495570

CCC1c2cccn2-c2ccc(F)cc2N1S(=O)(=O)c1cc(C)c(O)c(C)c1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.34
TRPA1 O75762 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 2/20 0.31
POLB P06746 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
SCHEMBL4492185 0.90 ESR1 (0.34) TRPA1CYP1A2CYP3A4TSHRMAPK1
SCHEMBL4508680 0.88 MEN1 (0.32) KMT2ATRPA1CYP1A2CYP3A4TSHR
SCHEMBL4502313 0.88 MMP2 (0.37) KMT2ACYP1A2CYP3A4TSHRMAPK1
SCHEMBL4508160 0.86 MMP2 (0.41) KMT2ACYP1A2CYP3A4TSHRMAPK1
SCHEMBL4492403 0.84 GAA (0.39) KMT2ATSHRSMN1; SMN2MEN1
SCHEMBL4499454 0.83 HSD17B3 (0.35) CYP1A2CYP3A4TSHRMAPK1CYP2C19
SCHEMBL4491386 0.81 MMP8 (0.40) KMT2ACYP1A2CYP3A4TSHRMAPK1
SCHEMBL4482414 0.80 MAPK1 (0.39) KMT2ACYP1A2CYP3A4TSHRMAPK1
SCHEMBL4492935 0.80 ESR1 (0.35) KMT2ATRPA1CYP1A2CYP3A4TSHR
SCHEMBL4496076 0.80 ESR1 (0.35) KMT2ATRPA1CYP1A2CYP3A4TSHR

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 KMT2A 860/4885TRPA1 2116/4885CYP1A2 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.