SCHEMBL3535689

SCHEMBL3535689

CC(C)N(CCCc1ccc2[nH]nc(S(=O)(=O)c3ccccc3)c2c1)OC(=O)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TTK P33981 3/20 0.35
CDK2 P24941 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HTT P42858 2/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
MAPK10 P53779 1/20 0.32
HSD17B10 Q99714 1/20 0.32
S1PR4 O95977 6/20 0.32
S1PR1 P21453 6/20 0.32
S1PR5 Q9H228 5/20 0.32
NAMPT P43490 1/20 0.32
CSNK2A1 P68400 1/20 0.32
HAO1 Q9UJM8 1/20 0.31
AURKA O14965 1/20 0.31
AURKB Q96GD4 1/20 0.31
GSK3B P49841 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
Trifluoroacetic Acid SCHEMBL3537153 0.84 CACNA1B (0.38) TTKCDK2S1PR4S1PR1S1PR5
SCHEMBL3535180 0.80 TTK (0.36) TTKKDM4ESMN1; SMN2RAB9ANAMPT
Trifluoroacetic Acid SCHEMBL3535684 0.80 SLC6A2 (0.41) TTKSMN1; SMN2RAB9AS1PR4S1PR1
SCHEMBL3533331 0.79 SIGMAR1 (0.40) TTK
Trifluoroacetic Acid SCHEMBL3535178 0.79 TTK (0.39) TTKKDM4ES1PR4S1PR1S1PR5
SCHEMBL3529918 0.76 TTK (0.39) TTKNAMPTHAO1AURKAAURKB
SCHEMBL3531978 0.75 CA2 (0.41) TTKNAMPTHAO1AURKAAURKB
SCHEMBL3531911 0.75 HTR6 (0.44) TTKLMNA
SCHEMBL8239566 0.75 SLC6A2 (0.46) TTKMAPTGSK3B
SCHEMBL3530143 0.74 TTK (0.39) TTKCDK2KDM4EMAPTSMN1; SMN2

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 TTK 4270/4885CDK2 2890/4885KDM4E 3348/4885

“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.