SCHEMBL3304231

SCHEMBL3304231

Cc1csc([C@@H](O)[C@H](C)NC(=O)O)n1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.40
FDPS P14324 1/20 0.40
HTT P42858 1/20 0.39
ESR2 Q92731 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 2/20 0.38
ALDH1A1 P00352 1/20 0.38
FFAR2 O15552 1/20 0.37
PTPRB P23467 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL5179505 1.00 RAB9A (0.41) RAB9ANPC1MAPTGAAFDPS
SCHEMBL2710802 0.81 RAB9A (0.44) RAB9ANPC1MAPTGAAFDPS
SCHEMBL2840468 0.81 RAB9A (0.44) RAB9ANPC1MAPTGAAFDPS
SCHEMBL3704421 0.81 HSD17B10 (0.39) RAB9ANPC1MAPTGAAFDPS
SCHEMBL23053339 0.74 HSD17B10 (0.43) RAB9ANPC1MAPTGAAFDPS
SCHEMBL13151648 0.74 ESR2 (0.43) RAB9ANPC1MAPTGAAFDPS
SCHEMBL3703592 0.74 SMN1; SMN2 (0.38) RAB9ANPC1MAPTGAAFDPS
SCHEMBL14562249 0.73 SMN1; SMN2 (0.43) RAB9ANPC1MAPTGAAFDPS
SCHEMBL15150621 0.73
SCHEMBL634117 0.73

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 RAB9A 4272/4885NPC1 8/4885MAPT 3011/4885
US-20060040999-A1 CETP inhibitors CETP, APOB, MTTP RAB9A 4272/4885NPC1 8/4885MAPT 3011/4885
US-20080119476-A1 Cetp Inhibitors CETP, APOB, MTTP RAB9A 4272/4885NPC1 8/4885MAPT 3011/4885
US-20100099716-A1 CETP INHIBITORS CETP, APOB, MTTP RAB9A 4272/4885NPC1 8/4885MAPT 3011/4885
US-20160075724-A1 CETP Inhibitors CETP, APOB, MTTP RAB9A 4272/4885NPC1 8/4885MAPT 3011/4885

“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.