SCHEMBL4648583

SCHEMBL4648583

COc1cc(-c2cc3c(c(S(=O)(=O)O)c2)OCC3)cc(OC)c1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.40
CYP2A6 P11509 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
KDM4E B2RXH2 4/20 0.39
ATM Q13315 1/20 0.39
CYP19A1 P11511 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
PDE5A O76074 2/20 0.34
PDE4A P27815 2/20 0.34
PDE1A P54750 2/20 0.34
PDE1B Q01064 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
PDE3B Q13370 2/20 0.34

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 0.82 NPC1 (0.39) ERN1CYP2A6KDM4ECYP19A1ALDH1A1
SCHEMBL4647453 0.80 PIK3CA (0.38) ERN1CYP2A6MAPK1
SCHEMBL4647459 0.80 PARP1 (0.34)
SCHEMBL4648923 0.79 PARP1 (0.42) ERN1CYP2A6KDM4ESMN1; SMN2
SCHEMBL4648907 0.79 HDAC4 (0.40) ERN1CYP2A6ALDH1A1HPGD
SCHEMBL4642112 0.78 KDM4E (0.46) ERN1CYP2A6KDM4EATMCYP19A1
SCHEMBL4646451 0.77 NRP1 (0.33) ERN1CYP2A6KDM4EALDH1A1L3MBTL1
SCHEMBL4645904 0.77 MKNK1 (0.42) ERN1CYP2A6CA1CA2PDE3B
SCHEMBL4649007 0.76 HSD17B1 (0.38) ERN1LMNAABCB1KMT2A
SCHEMBL4648255 0.75 GRIA2 (0.34) ERN1CYP2A6

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 ERN1 4042/4885CYP2A6 946/4885CA12 4709/4885

“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.