SCHEMBL3304366

SCHEMBL3304366

C[C@H](NC(=O)O)[C@H](O)c1nnn(C)n1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
RECQL P46063 2/20 0.36
NPC1 O15118 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
TP53 P04637 2/20 0.34
RAB9A P51151 2/20 0.34
KCNK3 O14649 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL3392866 0.74 CNR2 (0.44) TSHRKDM4EALDH1A1RECQLNPC1
SCHEMBL3301737 0.71 RECQL (0.35) TSHRRECQLSMN1; SMN2RAB9AKCNK3
SCHEMBL17275417 0.69 APLNR (0.37) TSHRKDM4EALDH1A1NPC1SMN1; SMN2
SCHEMBL17275444 0.66 CNR2 (0.36) CNR2
SCHEMBL21813723 0.65
SCHEMBL15664234 0.65
SCHEMBL15664030 0.65
SCHEMBL1436203 0.65
SCHEMBL16486922 0.63 CTSA (0.36)
SCHEMBL12862796 0.63 KDM4E (0.39) TSHRKDM4EALDH1A1RECQLSMN1; SMN2

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-20160075724-A1 CETP Inhibitors MERCK SHARP & DOHME (US) 2016-03-17 US disclosed
US-20140221383-A1 CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-08-07 US disclosed
US-8735435-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-27 US disclosed
EP-1765793-B1 ANACETRAPIB AND OTHER CETP INHIBITPRS MERCK SHARP & DOHME (US) 2012-09-26 EP disclosed
US-20100099716-A1 CETP INHIBITORS MERCK SHARP & DOHME LLC 2010-04-22 US disclosed
US-7652049-B2 1-benzyl-4-[4'-fluoro-5'-isopropyl-2'-methoxy-4-(trifluoromethyl)biphenyl-2-yl]imidazolidin-2-one; cholesteryl ester transfer protein inhibitor; raising HDL-cholesterol, reducing LDL-cholesterol; atherosclerosis; antiinflammatory agent; synergistic mixture with other active ingredients MERCK & CO., INC. (US) 2010-01-26 US disclosed
US-20080119476-A1 Cetp Inhibitors ALI AMJAD 2008-05-22 US disclosed
US-20060040999-A1 CETP inhibitors MERCK SHARP & DOHME LLC 2006-02-23 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 (5 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-20140221383-A1 CETP INHIBITORS CETP, APOB, MTTP TSHR 2302/4885KDM4E 1437/4885ALDH1A1 3887/4885
US-20060040999-A1 CETP inhibitors CETP, APOB, MTTP TSHR 2302/4885KDM4E 1437/4885ALDH1A1 3887/4885
US-20080119476-A1 Cetp Inhibitors CETP, APOB, MTTP TSHR 2302/4885KDM4E 1437/4885ALDH1A1 3887/4885
US-20100099716-A1 CETP INHIBITORS CETP, APOB, MTTP TSHR 2302/4885KDM4E 1437/4885ALDH1A1 3887/4885
US-20160075724-A1 CETP Inhibitors CETP, APOB, MTTP TSHR 2302/4885KDM4E 1437/4885ALDH1A1 3887/4885

“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.