SCHEMBL4648666

SCHEMBL4648666

O=S(=O)(O)c1cc(-c2ccc3c(c2)OCO3)cc2c1OCC2

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
KIF11 P52732 1/20 0.42
PTGS2 P35354 4/20 0.40
PTGS1 P23219 2/20 0.40
PTPRC P08575 1/20 0.40
DYRK1A Q13627 1/20 0.38
CHEK2 O96017 1/20 0.38
ERN1 O75460 3/20 0.38
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
ADORA1 P30542 1/20 0.37
PLG P00747 1/20 0.36
PLAU P00749 1/20 0.36
ALOX5 P09917 1/20 0.36

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
SCHEMBL4649007 0.81 HSD17B1 (0.38) DYRK1AERN1
SCHEMBL4645575 0.80 MAPT (0.38) PTGS2PTGS1DYRK1AERN1
SCHEMBL4646451 0.80 NRP1 (0.33) KIF11PTGS2DYRK1AERN1
SCHEMBL4648553 0.80 PARP1 (0.41) PTGS2DYRK1AERN1
SCHEMBL4646965 0.80 CA1 (0.38) CA2CA9DYRK1AERN1ALOX5
SCHEMBL4648162 0.79 NRP1 (0.40)
SCHEMBL4642333 0.78 CTNNB1 (0.46) CA12CA2CA9CHEK2ADORA3
SCHEMBL4647930 0.78 PDE4B (0.40) ALOX5
SCHEMBL4647649 0.77 ALDH1A1 (0.39) CA12CA2CA9DYRK1A
SCHEMBL4649205 0.77 NPC1 (0.39) PTGS2PTGS1DYRK1AERN1

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 CA12 4709/4885CA2 4071/4885CA9 4832/4885

“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.