SCHEMBL3284587

SCHEMBL3284587

FC(F)(F)c1c[c]c(Br)c(C(F)(F)F)c1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.34
NOTUM Q6P988 1/20 0.30

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
SCHEMBL27554779 0.78 PDE2A (0.32)
SCHEMBL630411 0.77 PLAU (0.35)
SCHEMBL20526087 0.76 CES2 (0.35) CES2
SCHEMBL454940 0.76 CES2 (0.35) CES2
SCHEMBL28001125 0.76 TSHR (0.35) CES2
SCHEMBL17434720 0.74 CES2 (0.34) CES2
SCHEMBL2747437 0.74 CES2 (0.34) CES2
SCHEMBL7701994 0.72 CYP11B1 (0.36) CES2NOTUM
SCHEMBL29044683 0.71 ALDH1A1 (0.43)
SCHEMBL19002930 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070185059-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US claimed
US-9580444-B2 Polycyclic pyrazolinone derivative and herbicide comprising same as effective component thereof SAGAMI CHEMICAL RESEARCH INSTITUTE (JP) 2017-02-28 US disclosed
EP-2744788-B1 BENZOPIPERAZINE DERIVATIVES AS CETP INHIBITORS MERCK SHARP & DOHME (US) 2016-10-19 EP disclosed
US-20160024110-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2016-01-28 US disclosed
EP-2975040-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF Sagami Chemical Research Institute (JP) 2016-01-20 EP disclosed
US-9126976-B2 Substituted benzopiperazines as CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2015-09-08 US disclosed
US-20140357632-A1 BENZOPIPERAZINE DERIVATIVES AS CETP INHIBITORS MERCK SHARP & DOHME LLC 2014-12-04 US disclosed
EP-2744788-A1 BENZOPIPERAZINE DERIVATIVES AS CETP INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-06-25 EP disclosed
CN-103864754-A Five-membered azole heterocycle compound, preparation method, drug composition and use thereof SHANGHAI INST MATERIA MEDICA 2014-06-18 CN disclosed
WO-2013028382-A1 BENZOPIPERAZINE DERIVATIVES AS CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-02-28 WO disclosed
US-6878663-B2 Method for producing palladium complex compound CENTRAL GLASS COMPANY, LIMITED (JP) 2005-04-12 US disclosed
EP-1514544-A1 ANTIALLERGIC Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-16 EP disclosed
EP-1512396-A1 INHIBITORS AGAINST THE ACTIVATION OF AP-1 AND NFAT Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-09 EP disclosed
EP-1008601-B1 Method for producing palladium complex compound CENTRAL GLASS CO LTD (JP) 2005-03-09 EP disclosed
EP-1510210-A1 IMMUNITY-RELATED PROTEIN KINASE INHIBITORS Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 EP disclosed
EP-1510207-A1 THERAPEUTIC DRUG FOR DIABETES Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 EP disclosed
US-6706905-B1 REACTING AROMATIC COMPOUND, PALLADIUM(II) COMPOUND, AND PHOSPHINE DERIVATIVE; COMPLEXING WITH BENZOIC ACID DERIVATIVE; METALLIZATION CENTRAL GLASS COMPANY, LIMITED (JP) 2004-03-16 US disclosed
US-20020111482-A1 Method for producing palladium complex compound CENTRAL GLASS COMPANY, LIMITED 2002-08-15 US disclosed
EP-1008601-A2 Method for producing palladium complex compound Central Glass Company, Limited (JP) 2000-06-14 EP disclosed
WO-1995033711-A1 PHENYL BENZOYL(NICOTINOYL) UREA DERIVATIVES HANWHA CORPORATION (KR) 1995-12-14 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-20160024110-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF DDT, PDHX, CYP4X1 CES2 673/4885NOTUM 201/4885
US-20020111482-A1 Method for producing palladium complex compound PDCD1LG2, CD274, PDCD1 CES2 3861/4885NOTUM 3871/4885
US-20140357632-A1 BENZOPIPERAZINE DERIVATIVES AS CETP INHIBITORS CETP, MTTP, HDLBP CES2 158/4885NOTUM 295/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR CES2 1509/4885NOTUM 1888/4885

“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.