SCHEMBL4648622

SCHEMBL4648622

CNC(=O)c1ccc(C#Cc2ccc(OC)c(S(=O)(=O)N[C@@H](CO)Cc3c[nH]c4ccccc34)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 9/20 0.51
MMP2 P08253 7/20 0.51
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
NEK1 Q96PY6 2/20 0.43
HDAC3 O15379 5/20 0.42
HDAC1 Q13547 5/20 0.42
HDAC2 Q92769 5/20 0.42
HDAC6 Q9UBN7 4/20 0.42
HDAC4 P56524 3/20 0.42
HDAC7 Q8WUI4 3/20 0.42
HDAC10 Q969S8 3/20 0.42
HDAC11 Q96DB2 3/20 0.42
HDAC8 Q9BY41 3/20 0.42
HDAC9 Q9UKV0 3/20 0.42
HDAC5 Q9UQL6 3/20 0.42
NR3C1 P04150 1/20 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
SCHEMBL4743114 0.96 MMP9 (0.48) MMP9MMP2KMT2AMEN1NEK1
SCHEMBL4646876 0.94 MMP9 (0.47) MMP9MMP2KMT2AMEN1NEK1
SCHEMBL4646406 0.92 MMP9 (0.46) MMP9MMP2KMT2AMEN1NEK1
SCHEMBL14064843 0.89 KMT2A (0.45) MMP9MMP2KMT2AMEN1NEK1
SCHEMBL14067184 0.89 KMT2A (0.47) MMP9KMT2AMEN1NEK1HDAC3
SCHEMBL4646742 0.88 MMP9 (0.50) MMP9MMP2KMT2AMEN1NR3C1
SCHEMBL4647956 0.86 MMP9 (0.44) MMP9MMP2KMT2AMEN1NEK1
SCHEMBL14064810 0.85 HDAC8 (0.45) MMP9MMP2KMT2AMEN1NEK1
SCHEMBL4743144 0.85 MMP9 (0.47) MMP9MMP2KMT2AMEN1HDAC2
SCHEMBL4646392 0.82 MMP9 (0.47) MMP9MMP2KMT2AMEN1HDAC2

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 8 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
US-20080255117-A1 SULFONYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-10-16 US disclosed
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 MMP9 4783/4885MMP2 4458/4885KMT2A 1685/4885

“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.