SCHEMBL4648576

SCHEMBL4648576

O=S(=O)(O)c1cc(-c2cnc3ccccc3c2)cc2c1OCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
PIK3CA P42336 4/20 0.42
PDGFRB P09619 2/20 0.40
PDGFRA P16234 2/20 0.40
TDP2 O95551 1/20 0.40
MAP4K4 O95819 1/20 0.39
CSNK1G2 P78368 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
MAP4K5 Q9Y4K4 1/20 0.39
CYP2A6 P11509 1/20 0.39
MTOR P42345 2/20 0.38
BIRC5 O15392 1/20 0.38
PIK3CD O00329 1/20 0.37
AKT1 P31749 1/20 0.36
PKM P14618 1/20 0.36
NISCH Q9Y2I1 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
SCHEMBL4647558 0.85 NPC1 (0.47) PIK3CA
SCHEMBL4646965 0.82 CA1 (0.38) CA1CA2CA9PIK3CAPKM
SCHEMBL4738863 0.81 PIK3CA (0.48) CA12CA1CA2CA9PIK3CA
SCHEMBL4648162 0.77 NRP1 (0.40) PIK3CAMTORAKT1PKM
SCHEMBL4646908 0.75 CA12 (0.37) CA12CA1CA2CA9
SCHEMBL4647453 0.75 PIK3CA (0.38) PIK3CAMAP4K4CYP2A6MTORPIK3CD
SCHEMBL4645904 0.75 MKNK1 (0.42) CA1CA2PIK3CAMKNK2CYP2A6
SCHEMBL4648561 0.75 PTPN1 (0.40) PIK3CAMTORAKT1
SCHEMBL4648611 0.74 CA2 (0.43) CA12CA1CA2CA9
SCHEMBL4648542 0.74 NRP1 (0.38) PKM

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 4709/4885CA1 4286/4885CA2 4071/4885

“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.