SCHEMBL4645904

SCHEMBL4645904

COc1ccc(-c2cc3c(c(S(=O)(=O)O)c2)OCC3)cn1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
PIK3CA P42336 1/20 0.41
KCNH2 Q12809 4/20 0.41
ERN1 O75460 4/20 0.40
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
USP30 Q70CQ3 1/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
CYP2A6 P11509 1/20 0.36
ALPL P05186 1/20 0.36
CD274 Q9NZQ7 1/20 0.36

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
SCHEMBL4647453 0.85 PIK3CA (0.38) PIK3CAERN1CYP2A6CD274
SCHEMBL4649205 0.82 NPC1 (0.39) ERN1CYP2A6
SCHEMBL4737996 0.81 MKNK1 (0.46) MKNK1MKNK2PIK3CAKCNH2ERN1
SCHEMBL4646451 0.78 NRP1 (0.33) PIK3CAERN1CYP2A6
SCHEMBL4648583 0.77 ERN1 (0.40) ERN1CA1CA2PDE3BPDE3A
SCHEMBL4648907 0.77 HDAC4 (0.40) ERN1CYP2A6
SCHEMBL4649007 0.76 HSD17B1 (0.38) ERN1HSD17B1
SCHEMBL4648553 0.75 PARP1 (0.41) ERN1
SCHEMBL4645575 0.75 MAPT (0.38) ERN1
SCHEMBL4648576 0.75 CA12 (0.43) MKNK2PIK3CACA1CA2CYP2A6

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 MKNK1 4323/4885MKNK2 3688/4885PIK3CA 4570/4885

“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.