SCHEMBL4510220

SCHEMBL4510220

CCC1c2cccn2-c2c(cc(F)c(F)c2F)N1S(=O)(=O)c1cccc(O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.40
PKM P14618 1/20 0.37
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HTR7 P34969 3/20 0.31
CYP2D6 P10635 2/20 0.31
HTR1B P28222 2/20 0.31
DRD3 P35462 2/20 0.31
HTR5A P47898 2/20 0.31
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
HTR1D P28221 1/20 0.31
HTR2B P41595 1/20 0.31
HTR6 P50406 1/20 0.31
HTR4 Q13639 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
SCHEMBL4502895 0.90 MMP2 (0.36) MMP2
SCHEMBL4488103 0.90 MMP2 (0.36) MMP2
SCHEMBL4497405 0.90 MMP2 (0.36) MMP2
SCHEMBL4498595 0.87 LMNA (0.40) PKMCYP3A4SMN1; SMN2TSHRMAPK1
SCHEMBL4508160 0.82 MMP2 (0.41) MMP2PKMCYP1A2CYP3A4SMN1; SMN2
SCHEMBL4497270 0.82 MMP8 (0.39) MMP2PKMTSHRMAPK1NPSR1
SCHEMBL4506110 0.80 MMP2 (0.41) MMP2PKMCYP1A2CYP3A4SMN1; SMN2
SCHEMBL4495606 0.77 MMP2 (0.39) MMP2CYP1A2CYP3A4SMN1; SMN2TSHR
SCHEMBL4496499 0.74 MAPK1 (0.43) PKMCYP1A2CYP3A4SMN1; SMN2TSHR
SCHEMBL4492935 0.74 ESR1 (0.35) CYP1A2CYP3A4SMN1; SMN2TSHRMAPK1

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 6 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 claimed
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 MMP2 4256/4885PKM 1830/4885CYP1A2 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.