SCHEMBL531737

SCHEMBL531737

COc1ccc(C(F)(F)F)cc1I

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
RAB9A P51151 1/20 0.47
MAPT P10636 4/20 0.44
NPSR1 Q6W5P4 2/20 0.44
KDM4E B2RXH2 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPK1 P28482 2/20 0.42
MEN1 O00255 1/20 0.42
ALOX15 P16050 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NQO2 P16083 1/20 0.40
HTR2A P28223 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
GAA P10253 1/20 0.39

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
SCHEMBL30760989 1.00 L3MBTL1 (0.47) L3MBTL1RAB9AMAPTNPSR1KDM4E
SCHEMBL19731306 0.84 L3MBTL1 (0.44) L3MBTL1RAB9AMAPTNPSR1KDM4E
SCHEMBL31377070 0.82 ALDH1A1 (0.43) KDM4EKMT2AMEN1ALOX15CYP1A2
SCHEMBL1506544 0.82 ALDH1A1 (0.43) KDM4EKMT2AMEN1ALOX15CYP1A2
SCHEMBL10451549 0.81 MEN1 (0.53) L3MBTL1RAB9AMAPTNPSR1KDM4E
SCHEMBL24313892 0.79 CYP1A2 (0.54) L3MBTL1MAPTNPSR1KDM4EKMT2A
SCHEMBL29469932 0.79 CYP1A2 (0.54) L3MBTL1MAPTNPSR1KDM4EKMT2A
SCHEMBL169247 0.79 GAA (0.55) L3MBTL1RAB9AMAPTNPSR1KDM4E
SCHEMBL10667796 0.78 KIF11 (0.49) L3MBTL1RAB9AMAPTNPSR1KMT2A
SCHEMBL2130915 0.78 L3MBTL1 (0.49) L3MBTL1RAB9AMAPTNPSR1KDM4E

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 16 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
US-20140058099-A1 NOVEL COMPOUND, CHARGE TRANSPORT MATERIAL, AND ORGANIC DEVICE KYUSHU UNIVERSITY NATIONAL UNIVERSITY CORPORATION (JP) 2014-02-27 US disclosed
US-20140058099-A1 NOVEL COMPOUND, CHARGE TRANSPORT MATERIAL, AND ORGANIC DEVICE KYUSHU UNIVERSITY NATIONAL UNIVERSITY CORPORATION (JP) 2014-02-27 US disclosed
EP-1765793-B1 ANACETRAPIB AND OTHER CETP INHIBITPRS MERCK SHARP & DOHME (US) 2012-09-26 EP disclosed
EP-2415759-A1 CETP inhibitors Merck Sharp & Dohme Corporation (US) 2012-02-08 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
US-6080740-A Spiro-ketal derivatives and their use as therapeutic agents MERCK SHARP & DOHME LTD. (GB) 2000-06-27 US disclosed
EP-0880529-A1 SPIRO-KETAL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LTD. (GB) 1998-12-02 EP disclosed
WO-1997030056-A1 SPIRO-KETAL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 1997-08-21 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 L3MBTL1 2269/4885RAB9A 4272/4885MAPT 3011/4885
US-20060040999-A1 CETP inhibitors CETP, APOB, MTTP L3MBTL1 2269/4885RAB9A 4272/4885MAPT 3011/4885
US-20080119476-A1 Cetp Inhibitors CETP, APOB, MTTP L3MBTL1 2269/4885RAB9A 4272/4885MAPT 3011/4885
US-20100099716-A1 CETP INHIBITORS CETP, APOB, MTTP L3MBTL1 2269/4885RAB9A 4272/4885MAPT 3011/4885
US-20160075724-A1 CETP Inhibitors CETP, APOB, MTTP L3MBTL1 2269/4885RAB9A 4272/4885MAPT 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.