SCHEMBL3534295

SCHEMBL3534295

Nc1cccc(OCCCl)c1CS(=O)(=O)c1cccc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 5/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
HTR6 P50406 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
BCHE P06276 1/20 0.36
KCNA3 P22001 1/20 0.35
F2 P00734 2/20 0.35
PRSS1 P07477 2/20 0.35
PRSS2 P07478 2/20 0.35
PRSS3 P35030 2/20 0.35
HTR1D P28221 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
KEAP1 Q14145 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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 0.83 HTR1B (0.40) HTR1BCA1CA2CA9HTR6
SCHEMBL3534805 0.82 NPC1 (0.43) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL3535404 0.79 HTR1B (0.42) HTR1BCA1CA2CA9HTR6
SCHEMBL3533435 0.77 HTR6 (0.38) CA1CA2CA9HTR6F2
SCHEMBL3531354 0.77 CA1 (0.35) HTR1BCA1CA2CA9HTR6
SCHEMBL3529003 0.75 CYP19A1 (0.38) HTR1BHTR6MEN1KMT2ABCHE
SCHEMBL3531590 0.75 HTR6 (0.39) CA1CA2CA9HTR6MEN1
SCHEMBL5014728 0.73 F2 (0.35) HTR1BCA1CA2CA9HTR6
SCHEMBL3532950 0.71 HTR6 (0.40) CA1CA2CA9HTR6KCNA3
SCHEMBL1900320 0.71 HTR1B (0.67) HTR1BMEN1KMT2AKCNA3HTR1D

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 HTR1B 6/4885CA1 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.