SCHEMBL4648923

SCHEMBL4648923

COc1cc(F)cc(-c2cc3c(c(S(=O)(=O)O)c2)OCC3)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.42
PTGS2 P35354 2/20 0.33
DRD2 P14416 1/20 0.33
CYP2A6 P11509 1/20 0.32
PGR P06401 2/20 0.32
RORC P51449 1/20 0.31
ERN1 O75460 1/20 0.31
CSNK1E P49674 1/20 0.31
HTR6 P50406 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GRK6 P43250 1/20 0.31
GYS1 P13807 1/20 0.31
LRRK2 Q5S007 1/20 0.30
KAT6A Q92794 1/20 0.30

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
SCHEMBL4649205 0.84 NPC1 (0.39) PTGS2CYP2A6ERN1KDM4ESMN1; SMN2
SCHEMBL4648907 0.83 HDAC4 (0.40) CYP2A6ERN1KAT6A
SCHEMBL4740085 0.81 PARP1 (0.50) PARP1DRD2CYP2A6PGRRORC
SCHEMBL4648553 0.80 PARP1 (0.41) PARP1PTGS2ERN1
SCHEMBL4648583 0.79 ERN1 (0.40) CYP2A6ERN1KDM4ESMN1; SMN2
SCHEMBL4648561 0.79 PTPN1 (0.40) PARP1PTGS2ERN1
SCHEMBL4647453 0.77 PIK3CA (0.38) CYP2A6ERN1
SCHEMBL4647459 0.77 PARP1 (0.34) PARP1PTGS2PGR
SCHEMBL4646451 0.75 NRP1 (0.33) PARP1PTGS2CYP2A6ERN1KDM4E
SCHEMBL4645904 0.74 MKNK1 (0.42) CYP2A6ERN1

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 2120/4885PTGS2 3273/4885DRD2 91/4885

“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.