SCHEMBL4647082

SCHEMBL4647082

O=S(=O)(O)c1cc(-c2cccc(C(F)(F)F)c2)cc2c1OCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
PARP10 Q53GL7 1/20 0.41
PARP11 Q9NR21 1/20 0.41
ASIC3 Q9UHC3 1/20 0.41
PTPN1 P18031 1/20 0.39
RORC P51449 1/20 0.39
KIF11 P52732 1/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37
PTGES2 Q9H7Z7 1/20 0.36
PGR P06401 1/20 0.36

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
SCHEMBL4648578 0.86 KIF11 (0.39) MAPTNPSR1RXFP1KIF11
SCHEMBL4648561 0.84 PTPN1 (0.40) PARP10PARP11PTPN1CYP11B1CYP11B2
SCHEMBL4648162 0.84 NRP1 (0.40) PTPN1CYP11B1CYP11B2PTGES2
SCHEMBL4647930 0.83 PDE4B (0.40) PARP10PARP11PTGES2PGR
SCHEMBL4647649 0.81 ALDH1A1 (0.39) CA1CA2PTGES2
SCHEMBL4739488 0.80 MAPT (0.53) MAPTNPSR1RXFP1PARP10PARP11
SCHEMBL4648893 0.80 NRP1 (0.40) CYP11B2PTGES2
SCHEMBL4648526 0.79 XDH (0.39) CYP11B1CYP11B2PTGES2PGRHRH3
SCHEMBL4648907 0.79 HDAC4 (0.40) CYP11B1CYP11B2PTGES2
SCHEMBL4647650 0.79 PARP10 (0.43) PARP10PARP11PGRHRH3

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 MAPT 4636/4885NPSR1 5/4885RXFP1 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.