SCHEMBL2165889

SCHEMBL2165889

CCCCCCC1Oc2ccc(C=O)cc2NC1=O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
MAPK1 P28482 1/20 0.47
BRD4 O60885 2/20 0.44
USP2 O75604 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.41
HSD17B10 Q99714 4/20 0.40
ALOX15 P16050 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
THRB P10828 1/20 0.38

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
SCHEMBL2163564 0.90 L3MBTL1 (0.51) L3MBTL1MAPK1BRD4USP2GAA
SCHEMBL8117465 0.86 L3MBTL1 (0.48) L3MBTL1MAPK1BRD4USP2GAA
SCHEMBL532921 0.84 USP2 (0.48) L3MBTL1MAPK1USP2GAATSHR
SCHEMBL10505826 0.82 L3MBTL1 (0.55) L3MBTL1MAPK1BRD4USP2GAA
SCHEMBL5670684 0.79 HSD17B10 (0.53) MAPK1BRD4USP2GAATSHR
SCHEMBL5188341 0.74 PARP1 (0.57) BRD4USP2GAAHSD17B10
SCHEMBL532347 0.74 PARP1 (0.57) BRD4USP2GAAHSD17B10
SCHEMBL5342897 0.74 PARP1 (0.57) BRD4USP2GAAHSD17B10
SCHEMBL5670690 0.73 PARP1 (0.55) MAPK1BRD4USP2GAATSHR
SCHEMBL10506118 0.73 BRD4 (0.44) L3MBTL1MAPK1BRD4USP2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1534676-B1 PIPERIDINETRIOL DERIVATIVES AS INHIBITORS OF GLYCOSYLCERAMIDE SYNTHASE ACTELION PHARMACEUTICALS LTD (CH) 2012-09-12 EP disclosed
US-7985760-B2 Piperidinetriol derivatives as inhibitors of glycosyceramid synthase ACTELION PHARMACEUTICALS LTD. (CH) 2011-07-26 US disclosed
US-20060058349-A1 Piperidinetriol derivatives as inhibitors of glycosyceramid synthase OXFORD GLYCOSCIENCES(UK) LTD (GB) 2006-03-16 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-20060058349-A1 Piperidinetriol derivatives as inhibitors of glycosyceramid synthase CERS2, UGCG, GBA1 L3MBTL1 4396/4885MAPK1 3069/4885BRD4 1725/4885

“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.