SCHEMBL16933460

SCHEMBL16933460

CC(C)(C)CCS(=O)(=O)c1ccc(C#CC(C)(C)N(C(=O)O)C2CCN3CCC2CC3)cc1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.31
▸ CCR5 P51681 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ MMP2 P08253 1/20 0.31
▸ MMP9 P14780 1/20 0.31
▸ KDM1A O60341 2/20 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
SCHEMBL16933679 0.94 KDM1A (0.33) CA2CCR5NPC1RAB9AMMP2
SCHEMBL16933535 0.74 MEN1 (0.35) CA2CCR5
SCHEMBL29398893 0.74 NTMT1 (0.37) —
SCHEMBL16007060 0.74 CHRM1 (0.38) —
SCHEMBL29397422 0.72 NTMT1 (0.44) —
SCHEMBL16933677 0.70 CHRM5 (0.40) —
SCHEMBL16933657 0.70 CHRM5 (0.41) —
SCHEMBL16933425 0.69 RORC (0.35) —
SCHEMBL16933697 0.69 MMP13 (0.33) —
SCHEMBL15578134 0.68 CA2 (0.40) CA2MMP2MMP9

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
EP-2895484-B1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORP (US) 2022-02-23 — — EP disclosed
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 CA2 2213/4885CCR5 2764/4885NPC1 100/4885

“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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