SCHEMBL532671

SCHEMBL532671

FC(F)(F)c1ccc(I)c(CBr)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.40
PTPN1 P18031 1/20 0.36
GSK3B P49841 1/20 0.36
PTPN5 P54829 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
PDE2A O00408 3/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
SLC6A4 P31645 1/20 0.33
KCNH2 Q12809 1/20 0.33
CES2 O00748 2/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
CYBB P04839 1/20 0.32
NOX3 Q9HBY0 1/20 0.32
NOX4 Q9NPH5 1/20 0.32
NOX1 Q9Y5S8 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32

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
SCHEMBL531423 0.85 PTPN1 (0.38) IDO1PTPN1GSK3BPTPN5CYP3A4
SCHEMBL31454437 0.84 IDO1 (0.40) IDO1PTPN1GSK3BPTPN5PDE2A
SCHEMBL30149710 0.81 IDO1 (0.43) IDO1PTPN1GSK3BPTPN5CYP3A4
SCHEMBL1018316 0.81 IDO1 (0.43) IDO1PTPN1GSK3BPTPN5CYP3A4
SCHEMBL531384 0.80 KLF10 (0.40) IDO1PTPN5CYP3A4CYP2D6PDE2A
SCHEMBL12650016 0.80 ESR1 (0.40) IDO1PTPN5CYP3A4CYP2D6PDE2A
SCHEMBL28035154 0.80 IDO1 (0.40) IDO1PTPN5CYP3A4CYP2D6PDE2A
SCHEMBL475304 0.78 IDO1 (0.41) IDO1PTPN1GSK3BPTPN5CYP3A4
SCHEMBL29382636 0.78 IDO1 (0.41) IDO1PTPN1GSK3BPTPN5CYP3A4
SCHEMBL268985 0.78 IDO1 (0.58) IDO1PTPN1GSK3BPTPN5PDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106032362-B The preparation method of Ansai Qu 湖南千金湘江药业股份有限公司 2018-06-19 CN disclosed
CN-106032362-A Preparation method of Anacetrapib 湖南千金湘江药业股份有限公司 2016-10-19 CN disclosed
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
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-2007041494-A2 CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS MERCK & CO., INC. (US) 2007-04-12 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-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
CN-1729157-A Substituted amino phenylacetic acids, derivatives thereof, their preparation and their use as cyclooxygenase 2 (COX-2) inhibitors NOVARTIS AG (CH) 2006-02-01 CN 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 (4 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 IDO1 4683/4885PTPN1 3029/4885GSK3B 3127/4885
US-20060040999-A1 CETP inhibitors CETP, APOB, MTTP IDO1 4683/4885PTPN1 3029/4885GSK3B 3127/4885
US-20040132769-A1 Certain phenylacetic acids and derivatives CYP2A6, HCAR2, CYP2B6 IDO1 442/4885PTPN1 2530/4885GSK3B 4018/4885
US-20160075724-A1 CETP Inhibitors CETP, APOB, MTTP IDO1 4683/4885PTPN1 3029/4885GSK3B 3127/4885

“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.