SCHEMBL2079860

SCHEMBL2079860

COc1ccc(C(C)(Cl)C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA12 O43570 1/20 0.46
CA14 Q9ULX7 1/20 0.46
MAPK1 P28482 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.44
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL1246270 0.78 CA1 (0.50) HSD11B1CA1CA2CA7CA9
SCHEMBL10013486 0.78 CA1 (0.50) HSD11B1CA1CA2CA7CA9
SCHEMBL6818771 0.78 CA1 (0.50) HSD11B1CA1CA2CA7CA9
SCHEMBL9072846 0.78 CA1 (0.55) HSD11B1CA1CA2CA7CA9
SCHEMBL677932 0.78 CA1 (0.55) CA1CA2CA7CA9CA12
SCHEMBL9319281 0.78 CA1 (0.55) HSD11B1CA1CA2CA7CA9
SCHEMBL689878 0.76 CA1 (0.52) HSD11B1CA1CA2CA7CA9
SCHEMBL11356774 0.76 CA1 (0.52) HSD11B1CA1CA2CA7CA9
SCHEMBL2616610 0.76 CA1 (0.52) HSD11B1CA1CA2CA7CA9
SCHEMBL7135443 0.76 CA1 (0.52) HSD11B1CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633315-B2 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2014-01-21 US disclosed
EP-2167471-B1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC (US) 2013-10-16 EP disclosed
US-8552181-B2 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2013-10-08 US disclosed
US-20130072483-A1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2013-03-21 US disclosed
US-20120220583-A1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2012-08-30 US disclosed
US-8173810-B2 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2012-05-08 US disclosed
US-8163909-B2 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2012-04-24 US disclosed
EP-2393811-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-D]PYRIMIDIN-5(6H)-ONE DERIVATIVES Pfizer Inc. (US) 2011-12-14 EP disclosed
US-20100204119-A1 4-AMINO-5-OXO-7,8-DIHYDROPYRIMIDO[5,4-F][1,4]OXAZEPIN-6(5H)-YL PHENYL DERIVATIVES PFIZER INC 2010-08-12 US disclosed
WO-2010089686-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-D]PYRIMIDIN-5(6H)-ONE DERIVATIVES PFIZER INC. (US) 2010-08-12 WO disclosed
US-6506775-B1 Treatment of a gastrointestinal disorder; a central nervous system (CNS) adverse conditions caused by Heliobacter pylori; or angiogenesis especially CNS disorders in a mammalian subject, especially humans. PFIZER INC 2003-01-14 US disclosed
US-6329396-B1 TREATMENT OF GASTROINTESTINAL DISORDERS CENTRAL NERVOUS SYSTEM (CNS) DISORDERS; INFLAMMATORY DISEASE; EMESIS; URINARY INCONTINENCE; PAIN; MIGRAINE; SUNBURN; DISEASES, DISORDERS AND ADVERSE CONDITIONS CAUSED BY HELIOBACTER PYLORI; OR PFIZER INC. 2001-12-11 US disclosed
EP-0861235-B1 SUBSTITUTED BENZYLAMINOPIPERIDINE COMPOUNDS PFIZER (US) 2001-11-07 EP disclosed
EP-1114817-A1 Substituted benzylamino piperidine compounds PFIZER INC. (US) 2001-07-11 EP disclosed
US-RE37087-E1 1-(4-ETHOXYPHENYL)-4-(4-FLUORO-3-PHENOXYPHENYL)-1 -TRIFLUOROMETHYLBUTANE OR 1-(4-ETHOXY-3-FLUOROPHENYL)-4-(3-PHENOXYPHENYL)-1-TRIFLUOROMETHYLBUTANE, FOR EXAMPLE; COMBATS INSECTS AND MITES SCHERING AKTIENGESELLSCHAFT (DE) 2001-03-06 US disclosed
EP-0861235-A1 SUBSTITUTED BENZYLAMINOPIPERIDINE COMPOUNDS PFIZER INC. (US) 1998-09-02 EP disclosed
WO-1997008144-A1 SUBSTITUTED BENZYLAMINOPIPERIDINE COMPOUNDS PFIZER PHARMACEUTICALS INC. (JP) 1997-03-06 WO disclosed
EP-0233834-B1 INSECTICIDAL TRIFLUORMETHYL ALKANE DERIVATIVES SCHERING AKTIENGESELLSCHAFT (DE) 1992-04-22 EP disclosed
US-4791123-A MITICIDES SCHERING AKT. (DE) 1988-12-13 US disclosed
EP-0233834-A1 Insecticidal trifluormethyl alkane derivatives SCHERING AKTIENGESELLSCHAFT (DE) 1987-08-26 EP 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 (3 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-20100204119-A1 4-AMINO-5-OXO-7,8-DIHYDROPYRIMIDO[5,4-F][1,4]OXAZEPIN-6(5H)-YL PHENYL DERIVATIVES DGAT1, DGAT2, MOGAT2 HSD11B1 164/4885CA1 3576/4885CA2 3128/4885
US-20120220583-A1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP HSD11B1 480/4885CA1 508/4885CA2 4189/4885
US-20130072483-A1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP HSD11B1 346/4885CA1 648/4885CA2 3813/4885

“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.