SCHEMBL4648904

SCHEMBL4648904

O=S(=O)(N[C@@H](CO)Cc1c[nH]c2ccccc12)c1cc(Br)ccc1Br

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 11/20 0.52
NEK1 Q96PY6 2/20 0.52
ITGB2 P05107 2/20 0.51
ICAM1 P05362 2/20 0.51
ITGAL P20701 2/20 0.51
NR3C2 P08235 2/20 0.48
PGR P06401 1/20 0.48
KMT2A Q03164 1/20 0.46
MMP2 P08253 3/20 0.45
MMP9 P14780 3/20 0.45

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
SCHEMBL4649023 0.89 NEK1 (0.55) NR3C1NEK1NR3C2PGRMMP2
SCHEMBL4646281 0.88 NR3C1 (0.49) NR3C1NEK1NR3C2PGRKMT2A
SCHEMBL4646273 0.86 NR3C1 (0.50) NR3C1NEK1NR3C2PGRKMT2A
SCHEMBL4649348 0.85 NEK1 (0.48) NR3C1NEK1NR3C2PGR
SCHEMBL4647445 0.85 NEK1 (0.65) NR3C1NEK1NR3C2PGRMMP2
SCHEMBL4646869 0.81 NEK1 (0.47) NR3C1NEK1ITGB2ICAM1ITGAL
SCHEMBL7141920 0.81 NEK1 (0.55) NR3C1NEK1NR3C2PGRKMT2A
SCHEMBL4647511 0.77 NEK1 (0.52) NR3C1NEK1NR3C2PGRKMT2A
SCHEMBL3128254 0.77 NR3C1 (0.74) NR3C1NEK1NR3C2PGR
SCHEMBL3127701 0.76 NR3C1 (0.75) NR3C1NEK1NR3C2PGRMMP2

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 5 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
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 NR3C1 932/4885NEK1 4534/4885ITGB2 4592/4885

“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.