SCHEMBL5658530

SCHEMBL5658530

COc1cccc(S(=O)(=O)c2ccnc3[nH]cc(CCN(C(=O)O)C(C)(C)C)c23)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FGFR4 P22455 3/20 0.39
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
PTGER3 P43115 1/20 0.37
LRRK2 Q5S007 1/20 0.37
FGFR1 P11362 1/20 0.37
NAMPT P43490 4/20 0.36
ABCC9 O60706 1/20 0.36
ABCC8 Q09428 1/20 0.36
KCNJ11 Q14654 1/20 0.36
KCNJ8 Q15842 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.36
MTNR1B P49286 1/20 0.36
HSD11B1 P28845 1/20 0.35
SLC6A2 P23975 2/20 0.35
HTR2A P28223 2/20 0.35
MEP1B Q16820 1/20 0.34
KMT2A Q03164 1/20 0.34
NR3C2 P08235 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
SCHEMBL3889634 0.86 HTR2A (0.44) FGFR4CDK4CCND1LRRK2FGFR1
SCHEMBL3887063 0.84 FAAH (0.41) FGFR4PTGER3LRRK2FGFR1NAMPT
SCHEMBL3899516 0.72 HTR1A (0.43) SLC6A2HTR2AKMT2A
SCHEMBL5657285 0.70 HTR6 (0.51)
SCHEMBL3887376 0.68 HTR1D (0.41) NAMPTSLC6A2HTR2AKMT2A
SCHEMBL1029848 0.68 AOC3 (0.55) MTNR1BKMT2A
SCHEMBL7066081 0.64 KAT6A (0.48) HSD11B1KMT2A
SCHEMBL5655960 0.64 HDAC1 (0.42) CDK4CCND1HTR2AKMT2A
SCHEMBL5655114 0.61 HTR6 (0.62) CDK4CCND1HTR2AKMT2A
SCHEMBL857499 0.61 FGFR4 (0.47) FGFR4FGFR1

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-7297705-B2 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-11-20 US disclosed
US-20050020598-A1 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2005-01-27 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-20050020598-A1 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR7 FGFR4 3748/4885CDK4 3536/4885CCND1 3707/4885

“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.