SCHEMBL4648907

SCHEMBL4648907

COc1cccc(-c2cc3c(c(S(=O)(=O)O)c2)OCC3)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HSD17B3 P37058 1/20 0.39
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2E1 P05181 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP4B1 P13584 1/20 0.38
CYP2B6 P20813 1/20 0.38
CYP3A5 P20815 1/20 0.38
CYP2A7 P20853 1/20 0.38
CYP3A7 P24462 1/20 0.38
CYP2F1 P24903 1/20 0.38
CYP2C18 P33260 1/20 0.38

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 0.86 NPC1 (0.39) HSD17B3CYP11B1CYP11B2CYP2A6ERN1
SCHEMBL4648162 0.84 NRP1 (0.40) HSD17B3CYP11B1CYP11B2PTGES2DHODH
SCHEMBL4648923 0.83 PARP1 (0.42) CYP2A6ERN1KAT6A
SCHEMBL4647930 0.83 PDE4B (0.40) HSD17B3KAT6AALOX5PTGES2
SCHEMBL4648561 0.81 PTPN1 (0.40) CYP11B1CYP11B2ERN1PTGES2
SCHEMBL4647649 0.81 ALDH1A1 (0.39) PTGES2ALDH1A1
SCHEMBL4647650 0.81 PARP10 (0.43) ALDH1A1
SCHEMBL4641393 0.81 DHODH (0.47) HDAC4HDAC8DHODHALDH1A1HPGD
SCHEMBL4648893 0.80 NRP1 (0.40) CYP11B2PTGES2
SCHEMBL4649303 0.79 TDP2 (0.45) HSD17B3CYP1A2CYP3A4CYP2D6CYP2C9

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 HDAC4 4443/4885HDAC8 4208/4885HSD17B3 1019/4885

“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.