SCHEMBL4648526

SCHEMBL4648526

N#Cc1cccc(-c2cc3c(c(S(=O)(=O)O)c2)OCC3)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.39
SLC22A12 Q96S37 2/20 0.39
HSD17B3 P37058 1/20 0.39
PRF1 P14222 1/20 0.39
CYP11B2 P19099 2/20 0.37
KAT6A Q92794 1/20 0.37
IKBKB O14920 1/20 0.37
CHUK O15111 1/20 0.37
PTGES2 Q9H7Z7 1/20 0.36
PGR P06401 2/20 0.36
HRH3 Q9Y5N1 1/20 0.35
GSK3B P49841 1/20 0.35
PTPN5 P54829 1/20 0.35
ADAMTS4 O75173 1/20 0.35
CYP11B1 P15538 1/20 0.35
USP30 Q70CQ3 1/20 0.34
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 1/20 0.34

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 0.86 XDH (0.44) XDHSLC22A12HSD17B3PRF1PGR
SCHEMBL4648162 0.84 NRP1 (0.40) HSD17B3CYP11B2PTGES2CYP11B1
SCHEMBL4647930 0.83 PDE4B (0.40) HSD17B3KAT6AIKBKBCHUKPTGES2
SCHEMBL4648561 0.81 PTPN1 (0.40) CYP11B2PTGES2CYP11B1
SCHEMBL4647649 0.81 ALDH1A1 (0.39) PRF1PTGES2
SCHEMBL4739410 0.80 XDH (0.53) XDHSLC22A12HSD17B3PRF1CYP11B2
SCHEMBL4648893 0.80 NRP1 (0.40) CYP11B2IKBKBCHUKPTGES2ADAMTS4
SCHEMBL4647650 0.79 PARP10 (0.43) PGRHRH3CLK4
SCHEMBL4647082 0.79 MAPT (0.44) CYP11B2PTGES2PGRHRH3GSK3B
SCHEMBL4649303 0.77 TDP2 (0.45) HSD17B3IKBKBCHUKPGRCLK4

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 2606/4885HSD17B3 1019/4885

“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.