SCHEMBL4648626

SCHEMBL4648626

N#CCc1ccc(-c2cc3c(c(S(=O)(=O)O)c2)OCC3)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.37
NRP1 O14786 5/20 0.35
XDH P47989 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
SLC5A2 P31639 1/20 0.33
MMP3 P08254 1/20 0.32
CTSC P53634 1/20 0.31
FFAR1 O14842 1/20 0.30
AGTR2 P50052 1/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CG P48736 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
SCHEMBL4648461 0.84 XDH (0.44) NRP1XDHSLC22A12MMP3
SCHEMBL4649007 0.81 HSD17B1 (0.38) NRP1XDHSLC22A12LMNA
SCHEMBL4646451 0.80 NRP1 (0.33) NRP1XDHSLC22A12FFAR1MAPT
SCHEMBL4645575 0.80 MAPT (0.38) NRP1XDHSLC22A12MAPTHTT
SCHEMBL4648553 0.80 PARP1 (0.41) CYP11B2NRP1XDHSLC22A12NPC1
SCHEMBL4734197 0.80 XDH (0.47) CYP11B2XDHSLC22A12FFAR1
SCHEMBL4648578 0.77 KIF11 (0.39) MAPT
SCHEMBL4647763 0.77 HSD17B1 (0.37) NRP1LMNAMAPT
SCHEMBL4648175 0.77 PTGS2 (0.35) NRP1MMP3FFAR1LMNA
SCHEMBL4648526 0.76 XDH (0.39) CYP11B2XDHSLC22A12

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 CYP11B2 1485/4885NRP1 2591/4885XDH 2315/4885

“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.