SCHEMBL4647445

SCHEMBL4647445

O=S(=O)(N[C@@H](CO)Cc1c[nH]c2ccccc12)c1ccc(Br)cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NEK1 Q96PY6 2/20 0.65
MMP9 P14780 9/20 0.60
MMP2 P08253 8/20 0.60
NR3C1 P04150 7/20 0.57
NR3C2 P08235 2/20 0.56
PGR P06401 1/20 0.56
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51

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
SCHEMBL3127701 0.86 NR3C1 (0.75) NEK1MMP9MMP2NR3C1NR3C2
SCHEMBL4648904 0.85 NR3C1 (0.52) NEK1MMP9MMP2NR3C1NR3C2
SCHEMBL4649023 0.84 NEK1 (0.55) NEK1MMP9MMP2NR3C1NR3C2
SCHEMBL3127543 0.84 NR3C1 (0.80) NR3C1NR3C2PGR
SCHEMBL22500283 0.83 MMP9 (0.83) MMP9MMP2
SCHEMBL22500298 0.83 MMP9 (0.83) MMP9MMP2
SCHEMBL4647511 0.83 NEK1 (0.52) NEK1MMP9MMP2NR3C1NR3C2
SCHEMBL7379197 0.82 MMP9 (0.84) MMP9MMP2NR3C1HDAC2HDAC8
SCHEMBL7379195 0.82 MMP9 (0.84) MMP9MMP2NR3C1HDAC2HDAC8
SCHEMBL4646281 0.81 NR3C1 (0.49) NEK1MMP9MMP2NR3C1NR3C2

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 4534/4885MMP9 4783/4885MMP2 4458/4885

“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.