SCHEMBL3531354

SCHEMBL3531354

Nc1c(CS(=O)(=O)c2cccc3ccccc23)cc(F)cc1OCCCl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
HTR6 P50406 3/20 0.34
ADRA1D P25100 4/20 0.33
HTR1B P28222 2/20 0.33
ADRA1A P35348 2/20 0.33
ADRA1B P35368 2/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
F2 P00734 3/20 0.32
PRSS1 P07477 2/20 0.32
PRSS2 P07478 2/20 0.32
PRSS3 P35030 2/20 0.32
BCHE P06276 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.31

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
SCHEMBL3534503 0.85 HTR1B (0.40) CA1CA2CA9HTR6HTR1B
SCHEMBL3531590 0.85 HTR6 (0.39) CA1CA2CA9HTR6HTR2A
SCHEMBL5014728 0.84 F2 (0.35) CA1CA2CA9HTR6HTR1B
SCHEMBL3530271 0.84 CYP19A1 (0.38) HTR6ADRA1DADRA1AADRA1BHTR2A
SCHEMBL3529027 0.82 PSEN1 (0.39) ADRA1DADRA1AADRA1BMEN1KMT2A
SCHEMBL3535404 0.81 HTR1B (0.42) CA1CA2CA9HTR6HTR1B
SCHEMBL5013073 0.81 HTR6 (0.43) HTR6HTR2AHTR2CMEN1KMT2A
SCHEMBL3533435 0.79 HTR6 (0.38) CA1CA2CA9HTR6F2
SCHEMBL3534295 0.77 HTR1B (0.40) CA1CA2CA9HTR6HTR1B
SCHEMBL3529003 0.73 CYP19A1 (0.38) HTR6HTR1BMEN1KMT2ABCHE

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 CA1 3744/4885CA2 4471/4885CA9 4863/4885

“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.