SCHEMBL4647649

SCHEMBL4647649

Nc1cccc(-c2cc3c(c(S(=O)(=O)O)c2)OCC3)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
PARP1 P09874 2/20 0.38
AKT1 P31749 1/20 0.37
PIK3CA P42336 1/20 0.37
MTOR P42345 1/20 0.37
PTGES2 Q9H7Z7 1/20 0.36
NRP1 O14786 7/20 0.36
MAOA P21397 1/20 0.36
PRF1 P14222 1/20 0.36
DYRK1A Q13627 1/20 0.35
TDP2 O95551 1/20 0.35
MCL1 Q07820 1/20 0.33
PLK4 O00444 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) PARP1AKT1PIK3CAMTORPTGES2
SCHEMBL4647930 0.86 PDE4B (0.40) PARP1PTGES2NRP1TDP2
SCHEMBL4648561 0.85 PTPN1 (0.40) PARP1AKT1PIK3CAMTORPTGES2
SCHEMBL4648893 0.82 NRP1 (0.40) PIK3CAMTORPTGES2NRP1
SCHEMBL4647650 0.81 PARP10 (0.43) ALDH1A1PARP1NRP1TDP2PLK4
SCHEMBL4648526 0.81 XDH (0.39) PTGES2PRF1
SCHEMBL4647082 0.81 MAPT (0.44) CA1CA2PTGES2
SCHEMBL4649303 0.80 TDP2 (0.45) ALDH1A1TDP2
SCHEMBL4647459 0.80 PARP1 (0.34) PARP1NRP1
SCHEMBL4648542 0.79 NRP1 (0.38) PARP1PTGES2NRP1

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 ALDH1A1 4169/4885TSHR 50/4885HSD17B10 3757/4885

“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.