SCHEMBL4648162

SCHEMBL4648162

O=S(=O)(O)c1cc(-c2cccc(-c3ccccc3)c2)cc2c1OCC2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NRP1 O14786 9/20 0.40
PTGES2 Q9H7Z7 1/20 0.38
PARP1 P09874 1/20 0.36
DHODH Q02127 1/20 0.35
PTPN1 P18031 1/20 0.35
KMO O15229 1/20 0.34
FAAH O00519 1/20 0.34
NAAA Q02083 1/20 0.34
AKT1 P31749 1/20 0.34
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34
PKM P14618 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
HSD17B3 P37058 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
SCHEMBL4647930 0.88 PDE4B (0.40) NRP1PTGES2PARP1HSD17B3
SCHEMBL4647649 0.87 ALDH1A1 (0.39) NRP1PTGES2PARP1AKT1PIK3CA
SCHEMBL4648561 0.87 PTPN1 (0.40) NRP1PTGES2PARP1PTPN1AKT1
SCHEMBL4648542 0.86 NRP1 (0.38) NRP1PTGES2PARP1PKM
SCHEMBL4648893 0.85 NRP1 (0.40) NRP1PTGES2PIK3CAMTORCYP11B2
SCHEMBL4646965 0.84 CA1 (0.38) NRP1PTGES2PIK3CAPKM
SCHEMBL4648907 0.84 HDAC4 (0.40) PTGES2DHODHCYP11B1CYP11B2HSD17B3
SCHEMBL4647650 0.84 PARP10 (0.43) NRP1PARP1
SCHEMBL4648526 0.84 XDH (0.39) PTGES2CYP11B1CYP11B2HSD17B3
SCHEMBL4647082 0.84 MAPT (0.44) PTGES2PTPN1CYP11B1CYP11B2

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 NRP1 2591/4885PTGES2 3574/4885PARP1 2120/4885

“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.