SCHEMBL3560643

SCHEMBL3560643

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

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 13/20 0.37
SGMS1 Q86VZ5 6/20 0.37
KCNA5 P22460 1/20 0.37
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
SGPL1 O95470 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
SCHEMBL2767548 0.91 KCNA5 (0.36) SGMS2SGMS1KCNA5SMN1; SMN2
SCHEMBL3565420 0.82 SMN1; SMN2 (0.43) SGMS2KDM4ESMN1; SMN2CA1CA2
SCHEMBL2439003 0.80 KDM4E (0.42) SGMS2SGMS1KCNA5KDM4E
SCHEMBL3560647 0.80 KCNA5 (0.36) SGMS2SGMS1KCNA5SMN1; SMN2SGPL1
SCHEMBL2442656 0.80 KCNA5 (0.40) SGMS2SGMS1KCNA5SMN1; SMN2
Cyclohexane SCHEMBL2442882 0.79 KCNA5 (0.39) SGMS2SGMS1KCNA5SMN1; SMN2
Cyclopropane SCHEMBL2441865 0.79 KCNA5 (0.39) SGMS2SGMS1KCNA5SMN1; SMN2
SCHEMBL2767898 0.78 NPC1 (0.37) SGMS2SGMS1KCNA5SMN1; SMN2
SCHEMBL2771745 0.78 ALDH1A1 (0.45) SGMS2SGMS1KCNA5KDM4E
SCHEMBL2786526 0.77 PTGES (0.41) SGMS2SGMS1KCNA5KDM4ESMN1; 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 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 SGMS2 4737/4885SGMS1 4779/4885KCNA5 38/4885

“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.