SCHEMBL4485730

SCHEMBL4485730

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
HSD17B10 Q99714 2/20 0.41
MAPK1 P28482 2/20 0.41
TSHR P16473 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 2/20 0.35
PTGDR2 Q9Y5Y4 3/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PKM P14618 1/20 0.33
RECQL P46063 1/20 0.33
ALDH1A1 P00352 2/20 0.32
GNRHR P30968 1/20 0.32
RORC P51449 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
APOBEC3A P31941 1/20 0.32

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
SCHEMBL4504387 0.90 CYP1A2 (0.40) SMN1; SMN2HSD17B10MAPK1TSHRCYP1A2
SCHEMBL4499454 0.89 HSD17B3 (0.35) SMN1; SMN2HSD17B10MAPK1TSHRCYP1A2
SCHEMBL4498834 0.88 CYP1A2 (0.40) SMN1; SMN2HSD17B10MAPK1TSHRCYP1A2
SCHEMBL4507289 0.87 SMN1; SMN2 (0.40) SMN1; SMN2HSD17B10MAPK1TSHRCYP1A2
SCHEMBL5819840 0.83 CYP1A2 (0.39) SMN1; SMN2HSD17B10MAPK1TSHRCYP1A2
SCHEMBL4507460 0.81 MMP8 (0.39) SMN1; SMN2HSD17B10MAPK1TSHRCYP1A2
SCHEMBL4495291 0.81 GAA (0.49) SMN1; SMN2HSD17B10MAPK1TSHRCYP1A2
SCHEMBL4498334 0.80 PSEN1 (0.37) TSHRLMNAMEN1KMT2APSEN1
SCHEMBL4481846 0.76 ESR1 (0.35) SMN1; SMN2HSD17B10MAPK1TSHRCYP1A2
SCHEMBL4501667 0.76 POLB (0.41) SMN1; SMN2LMNAMAPTMEN1KMT2A

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-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
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 SMN1; SMN2 4411/4885HSD17B10 1736/4885MAPK1 1575/4885

“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.