SCHEMBL4499347

SCHEMBL4499347

CCC1c2cccn2-c2ccc(Br)cc2N1S(=O)(=O)c1ccc(O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.37
ESR1 P03372 2/20 0.35
MAPT P10636 2/20 0.35
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
BRD4 O60885 1/20 0.32
THRB P10828 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP2C19 P33261 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
HTR6 P50406 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
SCHEMBL4502989 1.00 MMP2 (0.37) MMP2ESR1MAPTPSEN1PSEN2
SCHEMBL4503821 1.00 MMP2 (0.37) MMP2ESR1MAPTPSEN1PSEN2
SCHEMBL4506110 0.90 MMP2 (0.41) MMP2CYP1A2CYP3A4TSHRMAPK1
SCHEMBL4481846 0.88 ESR1 (0.35) MMP2ESR1MAPTTHRBCYP1A2
SCHEMBL4502313 0.87 MMP2 (0.37) MMP2ESR1PSEN1PSEN2APH1B
SCHEMBL4495606 0.87 MMP2 (0.39) MMP2ESR1MAPTPSEN1PSEN2
SCHEMBL4493610 0.86 ESR1 (0.40) MMP2ESR1MAPTPSEN1PSEN2
SCHEMBL4498834 0.85 CYP1A2 (0.40) MMP2ESR1MAPTPSEN1PSEN2
SCHEMBL4499956 0.85 MMP8 (0.40) MMP2MAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL4496413 0.85 MMP8 (0.40) MMP2MAPTALDH1A1SMN1; SMN2MEN1

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 4 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

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 MMP2 4256/4885ESR1 1/4885MAPT 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.