SCHEMBL531384

SCHEMBL531384

OCc1cc(C(F)(F)F)ccc1I

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KLF10 Q13118 1/20 0.40
IDO1 P14902 2/20 0.40
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CES2 O00748 3/20 0.36
PDE2A O00408 2/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
PTPN5 P54829 1/20 0.34
KIF11 P52732 3/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CES1 P23141 1/20 0.33
ORAI1 Q96D31 1/20 0.33
ORAI2 Q96SN7 1/20 0.33
ORAI3 Q9BRQ5 1/20 0.33
TRPV6 Q9H1D0 1/20 0.33
NOTUM Q6P988 1/20 0.33

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
SCHEMBL27176949 0.84 IDO1 (0.43) KLF10IDO1CES2PDE2ASIRT2
SCHEMBL31085526 0.81 KLF10 (0.44) KLF10IDO1CYP3A4CYP2D6CES2
SCHEMBL1014987 0.81 KLF10 (0.44) KLF10IDO1CYP3A4CYP2D6CES2
SCHEMBL12650016 0.80 ESR1 (0.40) IDO1CYP3A4CYP2D6CES2PDE2A
SCHEMBL28035154 0.80 IDO1 (0.40) IDO1CYP3A4CYP2D6CES2PDE2A
SCHEMBL532671 0.80 IDO1 (0.40) IDO1CYP3A4CYP2D6CES2PDE2A
SCHEMBL17029998 0.80 KLF10 (0.48) KLF10CYP2D6KIF11ALDH1A1HPGD
SCHEMBL3827119 0.78 RXRA (0.47) CES2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1167122 0.78 IDO1 (0.58) KLF10IDO1CYP3A4CYP2D6PDE2A
SCHEMBL561439 0.78 KLF10 (0.66) KLF10IDO1CYP2D6SIRT2KIF11

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 84 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1973889-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2016-08-24 EP disclosed
EP-1973889-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2016-08-24 EP disclosed
US-20160075724-A1 CETP Inhibitors MERCK SHARP & DOHME (US) 2016-03-17 US disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-8865707-B2 Cholesteryl ester transfer protein inhibitors MERCK SHARP & DOHME CORP. (US) 2014-10-21 US disclosed
US-8865707-B2 Cholesteryl ester transfer protein inhibitors MERCK SHARP & DOHME CORP. (US) 2014-10-21 US disclosed
US-8865707-B2 Cholesteryl ester transfer protein inhibitors MERCK SHARP & DOHME CORP. (US) 2014-10-21 US disclosed
US-20140221383-A1 CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-08-07 US disclosed
US-20140221383-A1 CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-08-07 US disclosed
WO-2014111953-A1 PROCESS FOR PREPARATION OF ANACETRAPIB AND INTERMEDIATES THEREOF GLENMARK PHARMACEUTICALS LIMITED; GLENMARK GENERICS LIMITED (IN) 2014-07-24 WO disclosed
US-7202364-B2 Certain phenylacetic acids and derivatives NOVARTIS, AG (CH) 2007-04-10 US disclosed
EP-1765793-A1 CETP INHIBITORS Merck and Co., Inc. (US) 2007-03-28 EP disclosed
US-20070066586-A1 ANILINE DERIVATIVES AJINOMOTO CO., INC. (JP) 2007-03-22 US disclosed
EP-1736465-A1 ANILINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2006-12-27 EP disclosed
US-20060040999-A1 CETP inhibitors MERCK SHARP & DOHME LLC 2006-02-23 US disclosed
WO-2006014357-A1 CETP INHIBITORS MERCK & CO., INC. (US) 2006-02-09 WO disclosed
WO-2006014413-A1 CETP INHIBITORS MERCK & CO., INC. (US) 2006-02-09 WO disclosed
EP-1567477-A1 SUBSTITUTED AMINO PHENYLACETIC ACIDS, DERIVATIVES THEREOF, THEIR PREPARATION AND THEIR USE AS CYCLOOXYGENASE 2 (COX-2) INHIBITORS Novartis AG (CH) 2005-08-31 EP disclosed
US-20040132769-A1 Certain phenylacetic acids and derivatives NOVARTIS AG (CH) 2004-07-08 US disclosed
WO-2004048314-A1 SUBSTITUTED AMINO PHENYLACETIC ACIDS, DERIVATIVES THEREOF, THEIR PREPARATION AND THEIR USE AS CYCLOOXYGENASE 2 (COX-2) INHIBITORS NOVARTIS AG (CH) 2004-06-10 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 KLF10 1176/4885IDO1 4683/4885CYP3A4 446/4885
US-20060040999-A1 CETP inhibitors CETP, APOB, MTTP KLF10 1176/4885IDO1 4683/4885CYP3A4 446/4885
US-20040132769-A1 Certain phenylacetic acids and derivatives CYP2A6, HCAR2, CYP2B6 KLF10 4211/4885IDO1 442/4885CYP3A4 169/4885
US-20070066586-A1 ANILINE DERIVATIVES SERPINB1, ACE, REN KLF10 1029/4885IDO1 256/4885CYP3A4 329/4885
US-20160075724-A1 CETP Inhibitors CETP, APOB, MTTP KLF10 1176/4885IDO1 4683/4885CYP3A4 446/4885

“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.