SCHEMBL4648231

SCHEMBL4648231

O=S(=O)(O)c1cc(-c2cc3ccccc3s2)cc2c1OCC2

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.42
CA1 P00915 1/20 0.42
CA9 Q16790 1/20 0.42
APP P05067 2/20 0.41
ERN1 O75460 4/20 0.38
PTGS2 P35354 2/20 0.38
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGER2 P43116 1/20 0.37
CD274 Q9NZQ7 1/20 0.36
IKBKB O14920 1/20 0.36
NQO1 P15559 1/20 0.34
NQO2 P16083 1/20 0.34
SLC9A1 P19634 1/20 0.34
ACLY P53396 1/20 0.34
PRKDC P78527 1/20 0.33
PLAU P00749 1/20 0.33
HDAC2 Q92769 1/20 0.33

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
SCHEMBL4736169 0.80 ACLY (0.44) CA2CA1CA9APPERN1
SCHEMBL4646965 0.78 CA1 (0.38) CA2CA1CA9ERN1HSD17B1
SCHEMBL4646908 0.76 CA12 (0.37) CA2CA1CA9PTGER2PRKDC
SCHEMBL4648636 0.76 PTGER2 (0.43) ERN1PTGER2
SCHEMBL4648611 0.75 CA2 (0.43) CA2CA1CA9ERN1IKBKB
SCHEMBL4648162 0.75 NRP1 (0.40)
SCHEMBL4648542 0.75 NRP1 (0.38) PTGS2ACLY
SCHEMBL4647673 0.74 PGR (0.36)
SCHEMBL4648576 0.74 CA12 (0.43) CA2CA1CA9
SCHEMBL4647572 0.73 PARP1 (0.36) ERN1ACLY

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 CA2 4071/4885CA1 4286/4885CA9 4832/4885

“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.