SCHEMBL4497223

SCHEMBL4497223

CCOC(=O)Oc1ccc(S(=O)(=O)N2c3cc(Br)ccc3-n3c(C#N)ccc3[C@@H]2CC)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 3/20 0.38
MMP2 P08253 2/20 0.38
MMP9 P14780 2/20 0.38
MMP14 P50281 2/20 0.38
MMP3 P08254 1/20 0.36
PAX8 Q06710 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KMT2A Q03164 4/20 0.32
MEN1 O00255 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
CHRNA7 P36544 1/20 0.31
PKM P14618 1/20 0.30
TRPV4 Q9HBA0 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
SCHEMBL4498017 1.00 MMP8 (0.38) MMP8MMP2MMP9MMP14MMP3
SCHEMBL4500230 1.00 MMP8 (0.38) MMP8MMP2MMP9MMP14MMP3
SCHEMBL4501030 0.90 MMP8 (0.38) MMP8MMP2MMP9MMP14MMP3
SCHEMBL4509196 0.90 MMP8 (0.39) MMP8MMP2MMP9MMP14MMP3
SCHEMBL4508056 0.86 MMP2 (0.33) MMP2
SCHEMBL4500831 0.86 MMP2 (0.33) MMP2
SCHEMBL4509829 0.86 MMP2 (0.33) MMP2
SCHEMBL4499956 0.81 MMP8 (0.40) MMP8MMP2MMP9MMP14MMP3
SCHEMBL4496413 0.81 MMP8 (0.40) MMP8MMP2MMP9MMP14MMP3
SCHEMBL4485706 0.81 MMP8 (0.40) MMP8MMP2MMP9MMP14MMP3

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 MMP8 4531/4885MMP2 4256/4885MMP9 3671/4885

“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.