SCHEMBL3531052

SCHEMBL3531052

COC(=O)CCc1ccc(N)c(CS(=O)(=O)c2cccc3ccccc23)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
F2 P00734 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HIF1A Q16665 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SLC16A3 O15427 2/20 0.38
MTNR1A P48039 2/20 0.37
MTNR1B P49286 1/20 0.37
PRKD3 O94806 1/20 0.36
PRKCG P05129 1/20 0.36
PRKCB P05771 1/20 0.36
PRKCA P17252 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
SCHEMBL3533498 0.82 PTPN1 (0.47) PTPN1SIRT2TDP1HDAC1GAA
SCHEMBL3528998 0.81 ALDH1A1 (0.46) F2PRSS1PRSS2PRSS3SLC16A3
SCHEMBL3533663 0.81 CA2 (0.38) CYP1A2CYP2C19F2PRSS1PRSS2
SCHEMBL31680943 0.75 CYP1A2 (0.50) PTPN1CYP1A2CYP2C19F2PRSS1
SCHEMBL30819798 0.75 CYP1A2 (0.50) PTPN1CYP1A2CYP2C19F2PRSS1
SCHEMBL8233730 0.74 ALDH1A1 (0.45) PTPN1SIRT2HDAC1GAA
SCHEMBL3534223 0.72 NPC1 (0.43) CYP1A2CYP2C19F2PRSS1PRSS2
SCHEMBL2070635 0.71 F2 (0.51) CYP1A2CYP2C19F2PRSS1PRSS2
SCHEMBL4278946 0.71 HTR6 (0.56) GAAHTR6
SCHEMBL3534036 0.71 HTR6 (0.43) HTR6

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 PTPN1 2139/4885CYP1A2 346/4885CYP2C19 537/4885

“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.