SCHEMBL16933535

SCHEMBL16933535

CC(C)(C)CCS(=O)(=O)c1ccc(-c2ccc(C(C)(C)N(C(=O)O)C3CN4CCC3CC4)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ MCHR1 Q99705 1/20 0.34
▸ CHRM5 P08912 5/20 0.33
▸ CHRM1 P11229 5/20 0.33
▸ CHRM3 P20309 5/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CCR5 P51681 1/20 0.33
▸ KCNH2 Q12809 1/20 0.32
▸ CA2 P00918 1/20 0.31
▸ TTK P33981 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
SCHEMBL16933493 0.88 MEN1 (0.36) MEN1KMT2AATMCHRM5CHRM1
SCHEMBL16933480 0.87 KCNH2 (0.43) MEN1KMT2AATMCHRM5CHRM1
SCHEMBL16933565 0.86 GPR119 (0.39) MEN1KMT2AATMCHRM5CHRM1
SCHEMBL16933696 0.81 CHRM5 (0.32) MEN1KMT2AATMCHRM5CHRM1
SCHEMBL16933425 0.81 RORC (0.35) MEN1KMT2AATMKCNH2
SCHEMBL16933679 0.81 KDM1A (0.33) MEN1KMT2AATMCHRM5CHRM1
SCHEMBL16933470 0.81 CHRM5 (0.39) CHRM5CHRM1CHRM3CHRM2
SCHEMBL16933664 0.79 CHRM5 (0.41) CHRM5CHRM1CHRM3CHRM2
SCHEMBL16933539 0.79 DRD2 (0.36) CHRM5CHRM1CHRM3CHRM2
SCHEMBL16933536 0.78 CHRNA7 (0.38) MEN1KMT2AATMMCHR1

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 MEN1 1532/4885KMT2A 2721/4885ATM 2403/4885

“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.

Send feedback