SCHEMBL2169033

SCHEMBL2169033

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
TDP1 Q9NUW8 3/20 0.47
ALDH1A1 P00352 2/20 0.47
TSHR P16473 1/20 0.47
CNR2 P34972 1/20 0.47
ACHE P22303 1/20 0.47
MAPK1 P28482 1/20 0.46
YAP1 P46937 1/20 0.45
TEAD4 Q15561 1/20 0.45
NPY5R Q15761 1/20 0.44
ACP3 P15309 1/20 0.43
GPR88 Q9GZN0 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
ALOX12 P18054 1/20 0.43
HTT P42858 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
SCHEMBL17201813 0.83 MEN1 (0.48) MEN1KMT2ANPC1POLBTDP1
SCHEMBL2169119 0.83 SMN1; SMN2 (0.52) MEN1KMT2APOLBALDH1A1TSHR
SCHEMBL20382379 0.78 ABCB1 (0.53) NPC1TDP1ALDH1A1TSHRCNR2
SCHEMBL16912732 0.75 KMT2A (0.50) MEN1KMT2ANPC1POLBALDH1A1
SCHEMBL5197555 0.74 MEN1 (0.56) MEN1KMT2ANPC1POLBALDH1A1
SCHEMBL15209900 0.74 LDHA (0.50) MEN1KMT2ATDP1ALDH1A1TSHR
SCHEMBL1529070 0.73 CASR (0.49) ALDH1A1TSHRL3MBTL1
SCHEMBL1529072 0.73 CASR (0.49) ALDH1A1TSHRL3MBTL1
SCHEMBL17556844 0.72 L3MBTL1 (0.55) KMT2ANPC1ALDH1A1ACHEL3MBTL1
SCHEMBL16056652 0.72 L3MBTL1 (0.55) KMT2ANPC1ALDH1A1ACHEL3MBTL1

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 MEN1 2201/4885KMT2A 1338/4885NPC1 194/4885
US-20110166134-A1 Glucosylceramide Synthase Inhibition For The Treatment Of Collapsing Glomerulopathy And Other Glomerular Disease GBA1, UGCG, GBA2 MEN1 1648/4885KMT2A 3993/4885NPC1 414/4885
US-20100298317-A1 METHOD OF TREATING POLYCYSTIC KIDNEY DISEASES WITH CERAMIDE DERIVATIVES SGMS1, SGMS2, CERS2 MEN1 635/4885KMT2A 2267/4885NPC1 44/4885

“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.