SCHEMBL3533435

SCHEMBL3533435

Nc1cc(OCCCl)ccc1CS(=O)(=O)c1cccc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
MTNR1A P48039 9/20 0.35
MTNR1B P49286 8/20 0.35
F2 P00734 3/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
PGR P06401 1/20 0.34
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
MCL1 Q07820 1/20 0.33

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
SCHEMBL3532950 0.85 HTR6 (0.40) HTR6CA1CA2CA9MTNR1A
SCHEMBL3531477 0.83 ALDH1A1 (0.38) HTR6ESR1ESR2
SCHEMBL3531354 0.79 CA1 (0.35) HTR6CA1CA2CA9F2
SCHEMBL3534503 0.79 HTR1B (0.40) HTR6CA1CA2CA9F2
SCHEMBL5014728 0.78 F2 (0.35) HTR6CA1CA2CA9F2
SCHEMBL14610352 0.78 F2 (0.38) HTR6CA1CA2CA9MTNR1A
SCHEMBL3531590 0.78 HTR6 (0.39) HTR6CA1CA2CA9MTNR1A
SCHEMBL3534295 0.77 HTR1B (0.40) HTR6CA1CA2CA9F2
SCHEMBL3531473 0.75 HTT (0.38) HTR6MTNR1AMTNR1B
SCHEMBL3535404 0.74 HTR1B (0.42) HTR6CA1CA2CA9

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 HTR6 1/4885CA1 3744/4885CA2 4471/4885

“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.