SCHEMBL3532024

SCHEMBL3532024

Cc1ccc(S(=O)(=O)OCCOc2ccc(N)cc2CS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40
ALDH1A1 P00352 5/20 0.38
MAPT P10636 4/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
NPSR1 Q6W5P4 2/20 0.38
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ACHE P22303 1/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP24A1 Q07973 1/20 0.35
RAB9A P51151 1/20 0.35
RECQL P46063 1/20 0.34
HSD11B1 P28845 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
SCHEMBL3531728 0.85 CYP19A1 (0.45) CA12CA1CA9ALDH1A1MAPT
SCHEMBL3532022 0.81 CA12 (0.49) CA12CA1CA9ALDH1A1MAPT
SCHEMBL3531724 0.74 ALDH1A1 (0.50) CA12CA1CA9ALDH1A1MAPT
SCHEMBL13446449 0.73 CA12 (0.55) CA12CA1CA9ALDH1A1MEN1
SCHEMBL1395593 0.72 CA12 (0.55) CA12CA1CA9ALDH1A1MEN1
SCHEMBL26987755 0.72 ALDH1A1 (0.58) CA12CA1CA9ALDH1A1MAPT
SCHEMBL23412411 0.72 NCF1 (0.60) CA12CA1CA9NCF1
SCHEMBL12453521 0.72 L3MBTL1 (0.55) CA12CA1CA9ALDH1A1MAPT
SCHEMBL9369968 0.72 L3MBTL1 (0.52) CA12CA1CA9ALDH1A1MAPT
SCHEMBL1928600 0.71 L3MBTL1 (0.49) CA12CA1CA9ALDH1A1MAPT

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 CA12 4661/4885CA1 3744/4885CA9 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.