SCHEMBL4649348

SCHEMBL4649348

CCCOc1ccc(Br)cc1S(=O)(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NEK1 Q96PY6 2/20 0.48
NR3C1 P04150 12/20 0.48
KCNA5 P22460 2/20 0.46
NR3C2 P08235 5/20 0.45
PGR P06401 3/20 0.45
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42

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
SCHEMBL4646281 0.89 NR3C1 (0.49) NEK1NR3C1NR3C2PGRHDAC3
SCHEMBL4646273 0.87 NR3C1 (0.50) NEK1NR3C1KCNA5NR3C2PGR
SCHEMBL4648904 0.85 NR3C1 (0.52) NEK1NR3C1NR3C2PGR
SCHEMBL14064780 0.83 NEK1 (0.43) NEK1NR3C1KCNA5NR3C2PGR
SCHEMBL4646406 0.82 MMP9 (0.46) NEK1NR3C1KCNA5
SCHEMBL4647956 0.81 MMP9 (0.44) NEK1NR3C1KCNA5HDAC3HDAC4
SCHEMBL14067091 0.81 HDAC8 (0.44) NEK1NR3C1KCNA5HDAC3HDAC4
SCHEMBL4647445 0.79 NEK1 (0.65) NEK1NR3C1NR3C2PGRHDAC3
SCHEMBL4649023 0.79 NEK1 (0.55) NEK1NR3C1NR3C2PGRHDAC3
SCHEMBL3122145 0.76 NR3C1 (0.64) NR3C1NR3C2PGR

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 NEK1 4534/4885NR3C1 932/4885KCNA5 644/4885

“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.