SCHEMBL4646451

SCHEMBL4646451

Cc1ccc(-c2cc3c(c(S(=O)(=O)O)c2)OCC3)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NRP1 O14786 3/20 0.33
PARP1 P09874 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
RECQL P46063 1/20 0.33
CASP6 P55212 1/20 0.33
KMT2A Q03164 1/20 0.33
ELAVL1 Q15717 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ERN1 O75460 3/20 0.32
DYRK1A Q13627 1/20 0.32
XDH P47989 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
PTGS2 P35354 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL4647459 0.89 PARP1 (0.34) NRP1PARP1PTGS2
SCHEMBL4649007 0.87 HSD17B1 (0.38) NRP1PARP1KMT2AERN1DYRK1A
SCHEMBL4645575 0.86 MAPT (0.38) NRP1PARP1MEN1MAPTKMT2A
SCHEMBL4648553 0.86 PARP1 (0.41) NRP1PARP1MAPTERN1DYRK1A
SCHEMBL4648175 0.85 PTGS2 (0.35) NRP1PARP1ALDH1A1POLBERN1
SCHEMBL4649205 0.85 NPC1 (0.39) KDM4EALDH1A1MAPTERN1DYRK1A
SCHEMBL4647763 0.85 HSD17B1 (0.37) NRP1PARP1KDM4EMEN1MAPT
SCHEMBL4648578 0.83 KIF11 (0.39) MAPTPTGS2KIF11
SCHEMBL4648461 0.83 XDH (0.44) NRP1XDHSLC22A12PTGS2PKM
SCHEMBL4648162 0.82 NRP1 (0.40) NRP1PARP1PKMAKT1PIK3CA

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 NRP1 2591/4885PARP1 2120/4885KDM4E 2544/4885

“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.