SCHEMBL4647439

SCHEMBL4647439

O=S(=O)(O)c1cc(Br)cc2c1OCC2

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.38
MAPT P10636 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
PARP1 P09874 2/20 0.37
RECQL P46063 1/20 0.34
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33
POLB P06746 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
CXCR2 P25025 1/20 0.31
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL30016297 0.83 PARP1 (0.37) NPSR1MAPTRXFP1PARP1RECQL
SCHEMBL21760974 0.83 NPSR1 (0.36) NPSR1MAPTRXFP1PARP1RECQL
SCHEMBL743679 0.83 NPSR1 (0.36) NPSR1MAPTRXFP1PARP1RECQL
SCHEMBL29469917 0.83 NPSR1 (0.36) NPSR1MAPTRXFP1PARP1RECQL
SCHEMBL12459420 0.79 PARP1 (0.36) PARP1PTGS1PTGS2
SCHEMBL21761112 0.78 NR3C1 (0.37) NPSR1MAPTRXFP1PARP1RECQL
SCHEMBL16142977 0.77 MAPT (0.37) NPSR1MAPTRXFP1PARP1NR3C1
SCHEMBL4647459 0.75 PARP1 (0.34) PARP1NR3C1PGRNR3C2PTGS1
SCHEMBL21893243 0.73 ALOX15 (0.40) NPSR1MAPTRXFP1PARP1NR3C1
SCHEMBL4646451 0.73 NRP1 (0.33) MAPTPARP1RECQLPOLBPTGS2

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-20080255117-A1 SULFONYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-10-16 US claimed
WO-2008104597-A2 SULFONYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-04 WO claimed
EP-1964834-A1 Sulphonyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-09-03 EP claimed
US-20080255117-A1 SULFONYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-10-16 US disclosed
WO-2008104597-A2 SULFONYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-04 WO disclosed
EP-1964834-A1 Sulphonyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-09-03 EP 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-20080255117-A1 SULFONYLTRYPTOPHANOLS FSHR, NPY1R, GNRHR NPSR1 5/4885MAPT 4636/4885RXFP1 9/4885

“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.