SCHEMBL4648461

SCHEMBL4648461

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.44
SLC22A12 Q96S37 1/20 0.44
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
HSD17B3 P37058 1/20 0.36
NR3C1 P04150 4/20 0.35
NR3C2 P08235 4/20 0.35
PGR P06401 3/20 0.35
PRF1 P14222 1/20 0.35
MMP3 P08254 1/20 0.35
PTGS2 P35354 1/20 0.35
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
DRD3 P35462 1/20 0.34
HTR6 P50406 1/20 0.34
PKM P14618 1/20 0.33
PKLR P30613 1/20 0.33

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
SCHEMBL4648526 0.86 XDH (0.39) XDHSLC22A12HSD17B3PGRPRF1
SCHEMBL4648626 0.84 CYP11B2 (0.37) XDHSLC22A12MMP3NRP1
SCHEMBL4649007 0.84 HSD17B1 (0.38) XDHSLC22A12NRP1MAOAMAOB
SCHEMBL4646451 0.83 NRP1 (0.33) XDHSLC22A12PTGS2PKMKIF11
SCHEMBL4645575 0.83 MAPT (0.38) XDHSLC22A12PTGS2PKMNRP1
SCHEMBL4648553 0.83 PARP1 (0.41) XDHSLC22A12PTGS2NRP1
SCHEMBL4648578 0.80 KIF11 (0.39) PTGS2KIF11
SCHEMBL4647763 0.80 HSD17B1 (0.37) PTGS2KIF11NRP1
SCHEMBL4648175 0.80 PTGS2 (0.35) MMP3PTGS2NRP1
SCHEMBL4648162 0.79 NRP1 (0.40) HSD17B3PKMNRP1

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 XDH 2315/4885SLC22A12 2606/4885CA12 4709/4885

“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.