SCHEMBL3303697

SCHEMBL3303697

C[C@H](NC(=O)O)C(=O)c1nccn1COCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
OPRD1 P41143 1/20 0.36
ATM Q13315 1/20 0.36
FDPS P14324 1/20 0.35

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
SCHEMBL10242213 0.90 ATM (0.46) CTSLCTSSCTSKRAB9ANPC1
SCHEMBL7413642 0.87 CTSL (0.40) CTSLCTSSCTSKRAB9ANPC1
SCHEMBL18662357 0.81 DGAT1 (0.33) RAB9ANPC1SMN1; SMN2
SCHEMBL532075 0.80 KMT2A (0.38) CTSLCTSSCTSKRAB9ANPC1
SCHEMBL27684880 0.80 CYP19A1 (0.41)
SCHEMBL10434937 0.73 TSHR (0.44) CTSLCTSSCTSK
SCHEMBL7408571 0.71 MAPT (0.45) SMN1; SMN2
SCHEMBL7362345 0.70 FPR2 (0.48) CTSSATM
SCHEMBL8876703 0.70 FPR2 (0.48) CTSSATM
SCHEMBL9271702 0.70 MAPT (0.37) CTSLCTSSCTSK

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 CTSL 608/4885CTSS 336/4885CTSK 318/4885
US-20060040999-A1 CETP inhibitors CETP, APOB, MTTP CTSL 608/4885CTSS 336/4885CTSK 318/4885
US-20080119476-A1 Cetp Inhibitors CETP, APOB, MTTP CTSL 608/4885CTSS 336/4885CTSK 318/4885
US-20100099716-A1 CETP INHIBITORS CETP, APOB, MTTP CTSL 608/4885CTSS 336/4885CTSK 318/4885
US-20160075724-A1 CETP Inhibitors CETP, APOB, MTTP CTSL 608/4885CTSS 336/4885CTSK 318/4885

“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.