SCHEMBL4646908

SCHEMBL4646908

O=S(=O)(O)c1cc(-c2cccc3ccccc23)cc2c1OCC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA9 Q16790 3/20 0.37
GPR84 Q9NQS5 1/20 0.36
PTGER2 P43116 1/20 0.36
MCL1 Q07820 2/20 0.35
ACMSD Q8TDX5 1/20 0.35
PREP P48147 1/20 0.35
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
PARP1 P09874 1/20 0.33
PRKDC P78527 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
SCHEMBL4648542 0.85 NRP1 (0.38) PARP1NRP1FABP4
SCHEMBL4647572 0.82 PARP1 (0.36) ACMSDPARP1NRP1
SCHEMBL4649364 0.82 CREBBP (0.44) CA12CA1CA2CA9MCL1
SCHEMBL4648636 0.80 PTGER2 (0.43) PTGER2
SCHEMBL4646965 0.80 CA1 (0.38) CA1CA2CA9GPR84ACMSD
SCHEMBL4648162 0.80 NRP1 (0.40) PARP1NRP1
SCHEMBL4733757 0.79 MCL1 (0.53) MCL1ACMSDPARP1FABP4
SCHEMBL4648611 0.77 CA2 (0.43) CA12CA1CA2CA9PRKDC
SCHEMBL4648140 0.76 GRIA2 (0.40) CYP2C19PARP1NRP1
SCHEMBL4648231 0.76 CA2 (0.42) CA1CA2CA9PTGER2PRKDC

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 CA12 4709/4885CA1 4286/4885CA2 4071/4885

“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.