SCHEMBL4646965

SCHEMBL4646965

O=S(=O)(O)c1cc(-c2ccc3ccccc3c2)cc2c1OCC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 1/20 0.38
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
ALOX5 P09917 1/20 0.36
DYRK1A Q13627 1/20 0.35
PIK3CA P42336 1/20 0.35
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
GPR84 Q9NQS5 1/20 0.34
PKM P14618 1/20 0.34
PTGES2 Q9H7Z7 1/20 0.34
ACMSD Q8TDX5 1/20 0.34
NRP1 O14786 1/20 0.34
GSTP1 P09211 1/20 0.33
TSHR P16473 1/20 0.33
ERN1 O75460 2/20 0.33
NR3C1 P04150 1/20 0.32
NR3C2 P08235 1/20 0.32

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
SCHEMBL4648162 0.84 NRP1 (0.40) PIK3CAPKMPTGES2NRP1
SCHEMBL4647558 0.83 NPC1 (0.47) DYRK1APIK3CAHSD17B1HSD17B2
SCHEMBL4648576 0.82 CA12 (0.43) CA1CA2CA9PIK3CAPKM
SCHEMBL4649007 0.81 HSD17B1 (0.38) ESR1ESR2DYRK1AHSD17B1NRP1
SCHEMBL4647930 0.81 PDE4B (0.40) ESR2ALOX5PTGES2NRP1
SCHEMBL4648553 0.80 PARP1 (0.41) DYRK1ANRP1ERN1
SCHEMBL4645575 0.80 MAPT (0.38) DYRK1APKMNRP1ERN1
SCHEMBL4646451 0.80 NRP1 (0.33) DYRK1APIK3CAPKMNRP1ERN1
SCHEMBL4646908 0.80 CA12 (0.37) CA1CA2CA9GPR84ACMSD
SCHEMBL4647649 0.80 ALDH1A1 (0.39) CA1CA2CA9DYRK1APIK3CA

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 CA1 4286/4885CA2 4071/4885CA9 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.