SCHEMBL3528960

SCHEMBL3528960

O=[N+]([O-])c1ccc(OCCO)c(CS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.48
HSD11B1 P28845 1/20 0.45
HPGD P15428 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP19A1 P11511 7/20 0.43
CYP11B1 P15538 3/20 0.43
CYP11B2 P19099 3/20 0.43
CYP2D6 P10635 3/20 0.42
MAPK1 P28482 2/20 0.42
ALDH1A1 P00352 4/20 0.42
TAAR1 Q96RJ0 1/20 0.42
PTGS2 P35354 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
HIF1A Q16665 1/20 0.41
MAPT P10636 2/20 0.41

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
SCHEMBL3531728 0.82 CYP19A1 (0.45) HPGDL3MBTL1CYP19A1CYP2D6MAPK1
SCHEMBL3528954 0.77 HTT (0.53) HPGDL3MBTL1ALDH1A1MAPTRAB9A
SCHEMBL9264415 0.75 TSHR (0.67) TSHRTDP1PTGDR2HPGDCYP19A1
SCHEMBL10896075 0.74 TSHR (0.52) TSHRTDP1PTGDR2HPGDCYP19A1
SCHEMBL6572912 0.73 CYP19A1 (0.62) TSHRTDP1PTGDR2CYP19A1CYP11B1
SCHEMBL4101417 0.73 TSHR (0.59) TSHRTDP1PTGDR2HPGDMAPK1
SCHEMBL30764067 0.73 TSHR (0.59) TSHRTDP1PTGDR2HPGDCYP19A1
SCHEMBL29695817 0.73 TSHR (0.59) TSHRTDP1PTGDR2HPGDMAPK1
SCHEMBL9794582 0.73 TSHR (0.59) TSHRTDP1PTGDR2HPGDCYP19A1
SCHEMBL11736604 0.72 PTGDR2 (0.53) TSHRTDP1PTGDR2CYP19A1CYP11B1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723329-B2 Substituted-3-sulfonylindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2010-05-25 US disclosed
EP-1931640-A2 SUBSTITUTED-3-SULFONYLINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth a Corporation of the State of Delaware (US) 2008-06-18 EP disclosed
WO-2007021711-A2 SUBSTITUTED-3-SULFONYLINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2007-02-22 WO disclosed
US-20070037802-A1 such as N,N-Dimethyl-3-{[3-(1-naphthylsulfonyl)-1H-indazol-5-yl]oxy}propan-1-amine, used for the treatment of a central nervous system disorders WYETH (US) 2007-02-15 US 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-20070037802-A1 such as N,N-Dimethyl-3-{[3-(1-naphthylsulfonyl)-1H-indazol-5-yl]oxy}propan-1-amine, used for the treatment of a central nervous system disorders HTR6, TPH1, HTR1A TSHR 453/4885TDP1 1045/4885PTGDR2 139/4885

“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.