SCHEMBL1900536

SCHEMBL1900536

CC(C)c1ccc(CC(NC(=O)c2cccc3c2CCCCC3)C(O)c2ccc(F)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 6/20 0.48
CXCR5 P32302 3/20 0.43
CTSL P07711 1/20 0.43
BACE1 P56817 2/20 0.41
BACE2 Q9Y5Z0 2/20 0.41
PTGER4 P35408 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
UGCG Q16739 1/20 0.37

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
SCHEMBL5751394 0.89 CXCR5 (0.46) PSMB5CXCR5CTSLBACE1BACE2
SCHEMBL5751771 0.88 CXCR5 (0.47) PSMB5CXCR5CTSLBACE1BACE2
SCHEMBL2136000 0.84 PTGER4 (0.39) PSMB5BACE1BACE2PTGER4L3MBTL1
SCHEMBL1901979 0.81 CTSL (0.40) PSMB5CXCR5CTSLBACE1BACE2
SCHEMBL1899579 0.81 CTSL (0.40) PSMB5CXCR5CTSLBACE1BACE2
SCHEMBL1898861 0.80 CXCR5 (0.47) PSMB5CXCR5CTSLBACE1PTGER4
SCHEMBL1900140 0.78 CXCR5 (0.45) PSMB5CXCR5CTSLPTGER4MEN1
SCHEMBL5752139 0.77 BACE1 (0.39) PSMB5CTSLBACE1BACE2PTGER4
SCHEMBL5751803 0.76 MEN1 (0.38) PSMB5CXCR5BACE1BACE2ALDH1A1
SCHEMBL5751536 0.75 PTGER4 (0.38) PSMB5BACE1BACE2PTGER4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070054839-A1 Method of inhibiting remnant lipoprotein production JAPAN TOBACCO INC. (JP) 2007-03-08 US claimed
US-20060270705-A1 Method for inhibiting lipid absorption and lipid absorption inhibitor JAPAN TOBACCO INC. (JP) 2006-11-30 US claimed
US-20140364493-A1 METHOD OF INHIBITING REMNANT LIPOPROTEIN PRODUCTION JAPAN TOBACCO INC. (JP) 2014-12-11 US disclosed
US-20110189210-A1 METHOD OF INHIBITING REMNANT LIPOPROTEIN PRODUCTION JAPAN TOBACCO INC. (JP) 2011-08-04 US disclosed
EP-2319509-A1 Method of Inhibiting remnant lipoprotein production Japan Tobacco, Inc. (JP) 2011-05-11 EP disclosed
EP-2316447-A1 Method of inhibiting remnant lipoprotein production Japan Tobacco, Inc. (JP) 2011-05-04 EP disclosed
US-20070054839-A1 Method of inhibiting remnant lipoprotein production JAPAN TOBACCO INC. (JP) 2007-03-08 US disclosed
US-20060270705-A1 Method for inhibiting lipid absorption and lipid absorption inhibitor JAPAN TOBACCO INC. (JP) 2006-11-30 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 (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-20070054839-A1 Method of inhibiting remnant lipoprotein production CETP, PCSK9, LIPA PSMB5 470/4885CXCR5 3335/4885CTSL 452/4885
US-20110189210-A1 METHOD OF INHIBITING REMNANT LIPOPROTEIN PRODUCTION CETP, PCSK9, LIPA PSMB5 470/4885CXCR5 3335/4885CTSL 452/4885
US-20060270705-A1 Method for inhibiting lipid absorption and lipid absorption inhibitor CETP, SI, LIPC PSMB5 3173/4885CXCR5 3681/4885CTSL 1252/4885
US-20140364493-A1 METHOD OF INHIBITING REMNANT LIPOPROTEIN PRODUCTION CETP, PCSK9, LIPA PSMB5 470/4885CXCR5 3335/4885CTSL 452/4885

“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.