SCHEMBL4621789

SCHEMBL4621789

CS(=O)(=O)OC[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@@H](COCc1ccccc1)OS(C)(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.35
CA2 P00918 4/20 0.35
CA9 Q16790 4/20 0.35
CA7 P43166 3/20 0.35
TSHR P16473 1/20 0.34
TACR1 P25103 2/20 0.34
MAPT P10636 2/20 0.34
SLC1A1 P43005 1/20 0.33
CA4 P22748 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
NR3C1 P04150 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL15721047 1.00 CA1 (0.35) CA1CA2CA9CA7TSHR
SCHEMBL4619157 1.00 CA1 (0.35) CA1CA2CA9CA7TSHR
SCHEMBL4619145 1.00 CA1 (0.35) CA1CA2CA9CA7TSHR
SCHEMBL14747277 0.97 CA1 (0.35) CA1CA2CA9CA7TSHR
SCHEMBL14747292 0.97 CA1 (0.35) CA1CA2CA9CA7TSHR
SCHEMBL754270 0.97 CA1 (0.35) CA1CA2CA9CA7TSHR
SCHEMBL9344087 0.97 CA1 (0.35) CA1CA2CA9CA7TSHR
SCHEMBL14372181 0.97 CA1 (0.35) CA1CA2CA9CA7TSHR
SCHEMBL15892827 0.89 CA1 (0.42) CA1CA2CA9CA7TSHR
SCHEMBL9850496 0.85 KMT2A (0.42) CA1CA2CA9CA7TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9199935-B2 Pharmaceutically active piperidine derivatives Acetelion Pharmaceuticals Ltd. (CH) 2015-12-01 US disclosed
US-20140303208-A1 PHARMACEUTICALLY ACTIVE PIPERIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2014-10-09 US disclosed
US-8729099-B2 Pharmaceutically active piperidine derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2014-05-20 US disclosed
US-8729099-B2 Pharmaceutically active piperidine derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2014-05-20 US disclosed
US-7994198-B2 Piperidinetriol derivatives as inhibitors of glycosylceramidsynthase ACTELION PHARMACEUTICALS LTD. (CH) 2011-08-09 US disclosed
EP-1362031-B1 PHARMACEUTICALLY ACTIVE PIPERIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-03-19 EP disclosed
US-20070259918-A1 2-Hydroxymethyl-3,4,5-Trihydroxy-1-(4-Pentyloxybenzyl) Piperidine as Glucosylceramide Synthase (Gcs) Inhibitor ACTELION PHARMACEUTICALS, LTD. (CH) 2007-11-08 US disclosed
US-20060074107-A1 Pharmaceutically active piperidine derivatives OXFORD GLYCOSCIENCES (UK) LTD. 2006-04-06 US disclosed
US-20040097551-A1 As inhibitors of glucosylceramide synthase; for therapy and prophylaxis OXFORD GLYCOSCIENCES (UK) LTD. (GB) 2004-05-20 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 (4 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-20140303208-A1 PHARMACEUTICALLY ACTIVE PIPERIDINE DERIVATIVES GBA1, GBA2, UGCG CA1 3355/4885CA2 2788/4885CA9 1969/4885
US-20070259918-A1 2-Hydroxymethyl-3,4,5-Trihydroxy-1-(4-Pentyloxybenzyl) Piperidine as Glucosylceramide Synthase (Gcs) Inhibitor UGCG, CERS2, GBA1 CA1 2239/4885CA2 1626/4885CA9 2301/4885
US-20060074107-A1 Pharmaceutically active piperidine derivatives GBA1, GBA2, UGCG CA1 3355/4885CA2 2788/4885CA9 1969/4885
US-20040097551-A1 As inhibitors of glucosylceramide synthase; for therapy and prophylaxis GBA1, UGCG, GBA2 CA1 1775/4885CA2 2864/4885CA9 1777/4885

“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.