SCHEMBL4647572

SCHEMBL4647572

O=S(=O)(O)c1cc(-c2ccccc2F)cc2c1OCC2

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.36
PTPRC P08575 1/20 0.35
PTPN1 P18031 1/20 0.35
KAT6A Q92794 2/20 0.35
DHODH Q02127 1/20 0.34
NRP1 O14786 2/20 0.34
ACLY P53396 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
ACMSD Q8TDX5 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
ERN1 O75460 2/20 0.32
HTR6 P50406 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
SCHEMBL4648542 0.87 NRP1 (0.38) PARP1NRP1ACLY
SCHEMBL4649364 0.85 CREBBP (0.44) PARP1NRP1MAPT
SCHEMBL4648140 0.83 GRIA2 (0.40) PARP1DHODHNRP1CYP11B2
SCHEMBL4646908 0.82 CA12 (0.37) PARP1NRP1ACMSD
SCHEMBL4648553 0.80 PARP1 (0.41) PARP1NRP1MAPTCYP11B1CYP11B2
SCHEMBL4648561 0.80 PTPN1 (0.40) PARP1PTPN1NRP1CYP11B1CYP11B2
SCHEMBL4648162 0.79 NRP1 (0.40) PARP1PTPN1DHODHNRP1CYP11B1
SCHEMBL4738771 0.78 ACMSD (0.51) PARP1DHODHACMSD
SCHEMBL4648636 0.77 PTGER2 (0.43) ERN1
SCHEMBL4646965 0.77 CA1 (0.38) NRP1ACMSDERN1

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 PARP1 2120/4885PTPRC 1848/4885PTPN1 1429/4885

“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.