SCHEMBL4508680

SCHEMBL4508680

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

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
POLB P06746 1/20 0.32
TRPA1 O75762 2/20 0.32
CYP19A1 P11511 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 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
PTPN1 P18031 1/20 0.30
PTGS1 P23219 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
SCHEMBL4492403 0.89 GAA (0.39) MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL4495570 0.88 KMT2A (0.34) MEN1KMT2APOLBTRPA1CYP1A2
SCHEMBL4492185 0.84 ESR1 (0.34) TRPA1CYP1A2CYP3A4TSHRMAPK1
SCHEMBL4482414 0.84 MAPK1 (0.39) MEN1KMT2ACYP1A2CYP3A4TSHR
SCHEMBL4501667 0.82 POLB (0.41) MEN1KMT2APOLBSMN1; SMN2
SCHEMBL4502313 0.82 MMP2 (0.37) MEN1KMT2APOLBPSEN1PSEN2
SCHEMBL4508160 0.80 MMP2 (0.41) MEN1KMT2APOLBCYP1A2CYP3A4
SCHEMBL4491386 0.79 MMP8 (0.40) MEN1KMT2APOLBCYP1A2CYP3A4
SCHEMBL4496321 0.79 MMP8 (0.40) MEN1KMT2APOLBCYP1A2CYP3A4
SCHEMBL4511409 0.79 MMP8 (0.40) MEN1KMT2APOLBCYP1A2CYP3A4

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 MEN1 2574/4885KMT2A 860/4885POLB 4706/4885

“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.