SCHEMBL4649007

SCHEMBL4649007

O=S(=O)(O)c1cc(-c2ccc(O)cc2)cc2c1OCC2

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.38
ESR1 P03372 2/20 0.36
ERN1 O75460 3/20 0.35
XDH P47989 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
ABL1 P00519 1/20 0.34
ABCB1 P08183 1/20 0.34
BCR P11274 1/20 0.34
NRP1 O14786 3/20 0.34
PARP1 P09874 2/20 0.33
LMNA P02545 1/20 0.33
DYRK1A Q13627 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
ESR2 Q92731 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL4648553 0.87 PARP1 (0.41) ERN1XDHSLC22A12NRP1PARP1
SCHEMBL4645575 0.87 MAPT (0.38) ERN1XDHSLC22A12NRP1PARP1
SCHEMBL4646451 0.87 NRP1 (0.33) ERN1XDHSLC22A12NRP1PARP1
SCHEMBL4648461 0.84 XDH (0.44) XDHSLC22A12NRP1MAOAMAOB
SCHEMBL4648175 0.84 PTGS2 (0.35) ERN1NRP1PARP1LMNADYRK1A
SCHEMBL4648578 0.84 KIF11 (0.39)
SCHEMBL4647763 0.84 HSD17B1 (0.37) HSD17B1NRP1PARP1LMNAKMT2A
SCHEMBL4648162 0.83 NRP1 (0.40) NRP1PARP1
SCHEMBL4646965 0.81 CA1 (0.38) HSD17B1ESR1ERN1NRP1DYRK1A
SCHEMBL4648666 0.81 CA12 (0.45) ERN1DYRK1A

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 HSD17B1 1552/4885ESR1 102/4885ERN1 4042/4885

“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.