SCHEMBL3560647

SCHEMBL3560647

CC(C(=O)O)N(S)C(=O)Nc1noc2cccc(OCC(F)(F)F)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.36
SGMS2 Q8NHU3 12/20 0.35
SGMS1 Q86VZ5 5/20 0.35
PIK3CD O00329 1/20 0.34
PIK3R2 O00459 1/20 0.34
PIK3CG P48736 1/20 0.34
HCRTR2 O43614 1/20 0.32
UGCG Q16739 1/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
S1PR2 O95136 1/20 0.32
S1PR4 O95977 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
XBP1 P17861 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
PAX8 Q06710 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL2767552 0.92 KCNA5 (0.36) KCNA5SGMS2SGMS1HCRTR2UGCG
SCHEMBL3565422 0.83 SMN1; SMN2 (0.42) KCNA5SGMS2SMN1; SMN2
SCHEMBL2786528 0.81 HIF1A (0.36) KCNA5SGMS2SGMS1UGCG
Cyclohexane SCHEMBL2442882 0.81 KCNA5 (0.39) KCNA5SGMS2SGMS1UGCGMAPT
Cyclopropane SCHEMBL2441865 0.81 KCNA5 (0.39) KCNA5SGMS2SGMS1UGCGMAPT
SCHEMBL3560643 0.80 SGMS2 (0.37) KCNA5SGMS2SGMS1SMN1; SMN2SGPL1
SCHEMBL2771751 0.80 TP53 (0.39) KCNA5SGMS2SGMS1MAPTMEN1
SCHEMBL2439003 0.79 KDM4E (0.42) KCNA5SGMS2SGMS1UGCGMAPT
SCHEMBL2769801 0.78 NPC1 (0.34) KCNA5SGMS2SGMS1HCRTR2UGCG
SCHEMBL2442656 0.77 KCNA5 (0.40) KCNA5SGMS2SGMS1UGCGMEN1

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-7696238-B2 Substituted benzo[d]isoxazol-3-yl amine compounds as analgesics GRUENENTHAL GMBH (DE) 2010-04-13 US disclosed
US-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics GRUENENTHAL GMBH (DE) 2008-07-24 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-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics KCNQ1, KCNQ2, KCNQ3 KCNA5 38/4885SGMS2 4737/4885SGMS1 4779/4885

“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.