SCHEMBL4647763

SCHEMBL4647763

CC(=O)c1ccc(-c2cc3c(c(S(=O)(=O)O)c2)OCC3)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.34
NRP1 O14786 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
PARP1 P09874 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
KIF11 P52732 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
THRB P10828 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 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
SCHEMBL4647650 0.86 PARP10 (0.43) SMN1; SMN2NRP1PARP1MKNK2
SCHEMBL4646451 0.85 NRP1 (0.33) MAPTKDM4ENRP1MEN1KMT2A
SCHEMBL4649007 0.84 HSD17B1 (0.38) HSD17B1NRP1KMT2ALMNAPARP1
SCHEMBL4645575 0.83 MAPT (0.38) MAPTNRP1MEN1KMT2APARP1
SCHEMBL4648553 0.83 PARP1 (0.41) MAPTNRP1PARP1PTGS2HDAC3
SCHEMBL4648175 0.82 PTGS2 (0.35) SMN1; SMN2NRP1LMNAADORA3PARP1
SCHEMBL4649205 0.82 NPC1 (0.39) MAPTSMN1; SMN2KDM4EPTGS1PTGS2
SCHEMBL4647459 0.80 PARP1 (0.34) NRP1PARP1PTGS1PTGS2
SCHEMBL4648578 0.80 KIF11 (0.39) MAPTPTGS1PTGS2KIF11
SCHEMBL4648461 0.80 XDH (0.44) NRP1PTGS2KIF11

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 HSD17B1 1552/4885MAPT 4636/4885SMN1; SMN2 3174/4885

“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.