SCHEMBL4501667

SCHEMBL4501667

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 6/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 3/20 0.36
GFER P55789 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 2/20 0.35
CMA1 P23946 1/20 0.35
ALDH1A1 P00352 1/20 0.35
THRB P10828 1/20 0.35
HTR6 P50406 1/20 0.35
PKM P14618 1/20 0.35
TP53 P04637 1/20 0.34

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 0.90 GAA (0.39) SMN1; SMN2TDP1LMNAMEN1KMT2A
SCHEMBL4507289 0.89 SMN1; SMN2 (0.40) POLBSMN1; SMN2TDP1LMNAKMT2A
SCHEMBL4499454 0.87 HSD17B3 (0.35) SMN1; SMN2LMNAHTTALDH1A1THRB
SCHEMBL4482414 0.84 MAPK1 (0.39) SMN1; SMN2TDP1LMNAMEN1KMT2A
SCHEMBL4508680 0.82 MEN1 (0.32) POLBSMN1; SMN2MEN1KMT2A
SCHEMBL4502313 0.81 MMP2 (0.37) POLBSMN1; SMN2MEN1KMT2AHTR6
SCHEMBL4492185 0.80 ESR1 (0.34) SMN1; SMN2
SCHEMBL4495697 0.80 LMNA (0.40) SMN1; SMN2TDP1LMNAMEN1KMT2A
SCHEMBL4508160 0.80 MMP2 (0.41) POLBSMN1; SMN2MEN1KMT2AGFER
SCHEMBL4501552 0.79 LMNA (0.39) SMN1; SMN2TDP1LMNAMEN1KMT2A

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 POLB 4706/4885SMN1; SMN2 4411/4885TDP1 4321/4885

“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.