SCHEMBL2169119

SCHEMBL2169119

COc1ccc([C@@H](O)[C@@H](CN2CCCC2)N(Cc2ccccc2)C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 2/20 0.52
MITF O75030 1/20 0.52
LMNA P02545 1/20 0.52
HIF1A Q16665 1/20 0.52
UGCG Q16739 3/20 0.49
YAP1 P46937 1/20 0.45
TEAD4 Q15561 1/20 0.45
ABCB1 P08183 1/20 0.45
TSHR P16473 1/20 0.44
KDM4E B2RXH2 2/20 0.44
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LTA4H P09960 1/20 0.43

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
SCHEMBL2169033 0.83 MEN1 (0.47) ALDH1A1YAP1TEAD4TSHRPOLB
SCHEMBL12407185 0.77 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1MITFLMNAHIF1A
SCHEMBL7925240 0.74 UGCG (0.61) SMN1; SMN2ALDH1A1MITFLMNAHIF1A
SCHEMBL17635995 0.74 UGCG (0.61) SMN1; SMN2ALDH1A1MITFLMNAHIF1A
SCHEMBL12407186 0.73 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1MITFLMNAHIF1A
SCHEMBL12407829 0.73 UGCG (0.40) SMN1; SMN2ALDH1A1MITFLMNAHIF1A
SCHEMBL16413142 0.72 OPRK1 (0.62) SMN1; SMN2ALDH1A1TSHR
SCHEMBL16413140 0.72 OPRK1 (0.62) SMN1; SMN2ALDH1A1TSHR
SCHEMBL3103924 0.72 UGCG (0.66) SMN1; SMN2ALDH1A1MITFLMNAHIF1A
SCHEMBL3636099 0.72 UGCG (0.66) SMN1; SMN2ALDH1A1MITFLMNAHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8912177-B2 Method of treating polycystic kidney diseases with ceramide derivatives GENZYME CORPORATION (US) 2014-12-16 US disclosed
US-20110184021-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors GENZYME CORPORATION 2011-07-28 US disclosed
US-20110166134-A1 Glucosylceramide Synthase Inhibition For The Treatment Of Collapsing Glomerulopathy And Other Glomerular Disease GENZYME CORPORATION 2011-07-07 US disclosed
US-20100298317-A1 METHOD OF TREATING POLYCYSTIC KIDNEY DISEASES WITH CERAMIDE DERIVATIVES GENZYME CORPORATION 2010-11-25 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 (3 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-20110184021-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors GBA1, GBA2, ASAH2 SMN1; SMN2 3937/4885ALDH1A1 1211/4885MITF 3204/4885
US-20110166134-A1 Glucosylceramide Synthase Inhibition For The Treatment Of Collapsing Glomerulopathy And Other Glomerular Disease GBA1, UGCG, GBA2 SMN1; SMN2 4031/4885ALDH1A1 3569/4885MITF 3651/4885
US-20100298317-A1 METHOD OF TREATING POLYCYSTIC KIDNEY DISEASES WITH CERAMIDE DERIVATIVES SGMS1, SGMS2, CERS2 SMN1; SMN2 1980/4885ALDH1A1 2203/4885MITF 3849/4885

“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.