SCHEMBL4648561

SCHEMBL4648561

O=S(=O)(O)c1cc(-c2cccc(F)c2)cc2c1OCC2

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.40
PDE4B Q07343 1/20 0.39
PARP1 P09874 2/20 0.39
PARP10 Q53GL7 1/20 0.38
PARP11 Q9NR21 1/20 0.38
ESR2 Q92731 1/20 0.36
PTGS1 P23219 2/20 0.35
PTGS2 P35354 2/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
AKT1 P31749 1/20 0.35
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
ERN1 O75460 1/20 0.34
PTGES2 Q9H7Z7 1/20 0.34
NRP1 O14786 3/20 0.34
DCLRE1B Q9H816 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
SCHEMBL4648162 0.87 NRP1 (0.40) PTPN1PARP1CYP11B1CYP11B2AKT1
SCHEMBL4647930 0.86 PDE4B (0.40) PDE4BPARP1PARP10PARP11ESR2
SCHEMBL4648553 0.85 PARP1 (0.41) PARP1PTGS2CYP11B1CYP11B2ERN1
SCHEMBL4647649 0.85 ALDH1A1 (0.39) PARP1AKT1PIK3CAMTORPTGES2
SCHEMBL4647082 0.84 MAPT (0.44) PTPN1PARP10PARP11CYP11B1CYP11B2
SCHEMBL4648893 0.82 NRP1 (0.40) CYP11B2PIK3CAMTORPTGES2NRP1
SCHEMBL4648526 0.81 XDH (0.39) CYP11B1CYP11B2PTGES2
SCHEMBL4647650 0.81 PARP10 (0.43) PARP1PARP10PARP11NRP1
SCHEMBL4648907 0.81 HDAC4 (0.40) CYP11B1CYP11B2ERN1PTGES2
SCHEMBL4649303 0.80 TDP2 (0.45)

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 PTPN1 1429/4885PDE4B 1797/4885PARP1 2120/4885

“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.