SCHEMBL16933679

SCHEMBL16933679

CC(C)(C)CCS(=O)(=O)c1ccc(C#CC(C)(C)N(C(=O)O)C2CN3CCC2CC3)cc1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.33
▸ CHRM1 P11229 8/20 0.32
▸ CHRM3 P20309 8/20 0.32
▸ CHRM5 P08912 7/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ CHRM2 P08172 2/20 0.32
▸ CCR5 P51681 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ MMP2 P08253 1/20 0.30
▸ MMP9 P14780 1/20 0.30

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
SCHEMBL16933460 0.94 CA2 (0.31) KDM1ACCR5CA2NPC1RAB9A
SCHEMBL16933535 0.81 MEN1 (0.35) CHRM1CHRM3CHRM5MEN1KMT2A
SCHEMBL16007060 0.81 CHRM1 (0.38) CHRM1CHRM3CHRM5CHRM2
SCHEMBL16933677 0.77 CHRM5 (0.40) CHRM1CHRM3CHRM5MEN1KMT2A
SCHEMBL16933657 0.77 CHRM5 (0.41) CHRM1CHRM3CHRM5MEN1KMT2A
SCHEMBL29397422 0.75 NTMT1 (0.44) CHRM3
SCHEMBL29398893 0.72 NTMT1 (0.37) —
SCHEMBL16933493 0.69 MEN1 (0.36) CHRM1CHRM3CHRM5MEN1KMT2A
SCHEMBL16933480 0.69 KCNH2 (0.43) CHRM1CHRM3CHRM5MEN1KMT2A
SCHEMBL15578134 0.68 CA2 (0.40) MEN1KMT2ACA2MMP2MMP9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150210681-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORPORATION (US) 2015-07-30 — — 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-20150210681-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GBA1, GBA2, GAA KDM1A 3939/4885CHRM1 4870/4885CHRM3 4832/4885

“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.

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