SCHEMBL3533822

SCHEMBL3533822

CCN(CCc1ccc(N)c(CS(=O)(=O)c2ccccc2)c1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA12 O43570 13/20 0.43
CA1 P00915 13/20 0.43
CA2 P00918 13/20 0.43
CA4 P22748 6/20 0.43
RCE1 Q9Y256 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.37
METAP2 P50579 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL3568957 0.86 CA12 (0.42) CA12CA1CA2CA4RCE1
SCHEMBL3533820 0.81 CA12 (0.43) CA12CA1CA2
SCHEMBL27716502 0.80 CYP1A2 (0.49) CA1CA2
SCHEMBL3530911 0.78 CA2 (0.46) CA2
SCHEMBL3533498 0.77 PTPN1 (0.47) CA12
SCHEMBL3568963 0.77 HDAC1 (0.41) L3MBTL1
SCHEMBL4689420 0.74 NPC1 (0.36) CA1CA2L3MBTL1
SCHEMBL3533818 0.74 SMN1; SMN2 (0.41) L3MBTL1
SCHEMBL2479873 0.71 LMNA (0.59) CA12CA1CA2CA4RCE1
SCHEMBL2693605 0.71 CYP1A2 (0.56) CA12CA1CA2

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 2 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
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 CA12 4661/4885CA1 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.