SCHEMBL3306590

SCHEMBL3306590

C[C@H](NC(=O)O)C(=O)c1nccs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
HSPA9 P38646 2/20 0.46
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP7 P09237 1/20 0.41
CTSK P43235 1/20 0.39
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.38
RBBP9 O75884 1/20 0.38
HSPA5 P11021 2/20 0.37
HSD17B10 Q99714 1/20 0.37
PLA2G7 Q13093 1/20 0.37
ACACB O00763 1/20 0.36
PLA2G4A P47712 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
PPARG P37231 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL2625495 0.78 ALDH1A1 (0.61) ALDH1A1HSPA9CTSKLMNATSHR
SCHEMBL19405346 0.77 ALDH1A1 (0.59) ALDH1A1HSPA9CTSKLMNATSHR
SCHEMBL26113007 0.77 ALDH1A1 (0.59) ALDH1A1HSPA9CTSKLMNATSHR
SCHEMBL8087060 0.76 CTSK (0.50) MMP2MMP3MMP7CTSKLMNA
SCHEMBL18649650 0.75 ALDH1A1 (0.57) ALDH1A1HSPA9CTSKRBBP9PLA2G7
SCHEMBL29469558 0.75 ALDH1A1 (0.57) ALDH1A1HSPA9CTSKLMNATSHR
SCHEMBL20712728 0.74 HSPA9 (0.60) ALDH1A1HSPA9CTSKTSHRRBBP9
SCHEMBL13637584 0.73 ALDH1A1 (0.50) ALDH1A1HSPA9MMP2MMP3MMP7
SCHEMBL21814162 0.72 NPC1 (0.48) ALDH1A1HSPA9LMNATSHRHSPA5
SCHEMBL4480948 0.72 NPC1 (0.48) ALDH1A1HSPA9LMNATSHRHSPA5

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 10 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
EP-1765793-A1 CETP INHIBITORS Merck and Co., Inc. (US) 2007-03-28 EP disclosed
US-20060040999-A1 CETP inhibitors MERCK SHARP & DOHME LLC 2006-02-23 US disclosed
WO-2006014413-A1 CETP INHIBITORS MERCK & CO., INC. (US) 2006-02-09 WO 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 ALDH1A1 3887/4885HSPA9 4707/4885MMP2 1319/4885
US-20060040999-A1 CETP inhibitors CETP, APOB, MTTP ALDH1A1 3887/4885HSPA9 4707/4885MMP2 1319/4885
US-20080119476-A1 Cetp Inhibitors CETP, APOB, MTTP ALDH1A1 3887/4885HSPA9 4707/4885MMP2 1319/4885
US-20100099716-A1 CETP INHIBITORS CETP, APOB, MTTP ALDH1A1 3887/4885HSPA9 4707/4885MMP2 1319/4885
US-20160075724-A1 CETP Inhibitors CETP, APOB, MTTP ALDH1A1 3887/4885HSPA9 4707/4885MMP2 1319/4885

“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.