SCHEMBL4646406

SCHEMBL4646406

CCCOc1ccc(C#Cc2ccc(C(=O)NC)cc2)cc1S(=O)(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 12/20 0.46
MMP2 P08253 10/20 0.46
KCNA5 P22460 2/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
NEK1 Q96PY6 2/20 0.42
NR3C1 P04150 1/20 0.41
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
MMP8 P22894 1/20 0.40
MMP14 P50281 1/20 0.40
MMP25 Q9NPA2 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL4647956 0.95 MMP9 (0.44) MMP9MMP2KCNA5KMT2AMEN1
SCHEMBL4648622 0.92 MMP9 (0.51) MMP9MMP2KMT2AMEN1NEK1
SCHEMBL4743114 0.90 MMP9 (0.48) MMP9MMP2KMT2AMEN1NEK1
SCHEMBL14064780 0.89 NEK1 (0.43) MMP9KCNA5KMT2AMEN1NEK1
SCHEMBL4646876 0.87 MMP9 (0.47) MMP9MMP2KCNA5KMT2AMEN1
SCHEMBL14067091 0.84 HDAC8 (0.44) KCNA5KMT2AMEN1NEK1NR3C1
SCHEMBL4649348 0.82 NEK1 (0.48) KCNA5NEK1NR3C1
SCHEMBL14064843 0.81 KMT2A (0.45) MMP9MMP2KMT2AMEN1NEK1
SCHEMBL14067184 0.81 KMT2A (0.47) MMP9KMT2AMEN1NEK1NR3C1
SCHEMBL4646742 0.80 MMP9 (0.50) MMP9MMP2KMT2AMEN1NR3C1

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 4458/4885KCNA5 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.