SCHEMBL1017538

SCHEMBL1017538

CCOC(=O)C=C(C)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.50
HCAR2 Q8TDS4 1/20 0.42
ALDH1A1 P00352 4/20 0.41
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GLO1 Q04760 1/20 0.36
MAPT P10636 3/20 0.35
HDAC4 P56524 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
ALOX15 P16050 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
SOAT1 P35610 1/20 0.34
KDM4E B2RXH2 3/20 0.33
PKM P14618 3/20 0.33
KMT2A Q03164 2/20 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
SCHEMBL5704767 1.00 NPSR1 (0.50) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL1017537 1.00 NPSR1 (0.50) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL15482706 0.84 HCAR2 (0.46) NPSR1HCAR2ALDH1A1LMNAMAPT
SCHEMBL13468235 0.84 NPSR1 (0.47) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL17902937 0.82 HTT (0.42) NPSR1ALDH1A1HSD17B10ALOX15KMT2A
SCHEMBL15482712 0.81 ATM (0.55) NPSR1HCAR2ALDH1A1HSD17B10MAPT
SCHEMBL13468234 0.81 NPSR1 (0.44) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL10073610 0.81 NPSR1 (0.52) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL4777476 0.81 NPSR1 (0.52) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL15482535 0.81 NPSR1 (0.52) NPSR1HCAR2ALDH1A1LMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030194378-A1 Novel aerosol formulation containing a polar fluorinated molecule ASTRAZENECA AB (SE) 2003-10-16 US claimed
EP-1303258-A1 NOVEL AEROSOL FORMULATION CONTAINING A POLAR FLUORINATED MOLECULE AstraZeneca AB (SE) 2003-04-23 EP claimed
WO-2002003958-A1 NOVEL AEROSOL FORMULATION CONTAINING A POLAR FLUORINATED MOLECULE ASTRAZENECA AB (SE) 2002-01-17 WO claimed
US-20220234996-A1 Method for Producing (3S)-3-(4-chloro-3-{[(2S,3R)-2-(4-chlorophenyl)-4,4,4-trifluoro-3-methylbutanoyl]amino}phenyl)-3-cyclo-propylpropanoic Acid and the Crystalline Form Thereof for Use as a Pharmaceutical Ingredient BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-07-28 US disclosed
US-11332435-B2 Method for producing (3S)-3-(4-chloro-3-{[(2S,3R)-2-(4- chlorophenyl)-4,4,4-trifluoro-3-methylbutanoyl]amino}phenyl)-3-cyclo-propylpropanoic acid and the crystalline form thereof for use as a pharmaceutical ingredient BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-05-17 US disclosed
US-20210179541-A1 Method for Producing (3S)-3-(4-chloro-3-{[(2S,3R)-2-(4-chlorophenyl)-4,4,4-trifluoro-3-methylbutanoyl]amino}phenyl)-3-cyclo-propylpropanoic Acid and the Crystalline Form Thereof for Use as a Pharmaceutical Ingredient BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-06-17 US disclosed
EP-3717480-A1 METHOD FOR PRODUCING (3S)-3-(4-CHLOR-3-{[(2S,3R)-2-(4-CHLORPHENYL)-4,4,4-TRIFLUOR-3-METHYLBUTANOYL]AMINO}PHENYL)-3-CYCLO-PROPYLPROPANOIC ACID AND THE CRYSTALLINE FORM THEREOF FOR USE AS A PHARMACEUTICAL INGREDIENT Bayer Pharma Aktiengesellschaft (DE) 2020-10-07 EP disclosed
CN-111433204-A Process for the preparation of (3S) -3- (4-chloro-3- { [ (2S,3R) -2- (4-chlorophenyl) -4,4, 4-trifluoro-3-methylbutyryl ] amino } phenyl) -3-cyclopropylpropionic acid and crystalline forms thereof for use as a pharmaceutically active substance 拜耳制药股份公司 2020-07-17 CN disclosed
EP-2702050-B1 PYRAZOLIDIN-3-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-05-18 EP disclosed
US-8815853-B2 Pyrimidinone derivatives, preparation thereof and pharmaceutical use thereof SANOFI (FR) 2014-08-26 US disclosed
EP-2702050-A1 PYRAZOLIDIN-3-ONE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2014-03-05 EP disclosed
US-8247595-B2 Organic sulfur compound and its use for controlling harmful arthropod SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-21 US disclosed
EP-2152668-B1 ORGANIC SULFUR COMPOUND AND ITS USE FOR CONTROLLING HARMFUL ARTHROPODS SUMITOMO CHEMICAL CO (JP) 2011-01-12 EP disclosed
US-20100160434-A1 ORGANIC SULFUR COMPOUND AND ITS USE FOR CONTROLLING HARMFUL ARTHROPOD SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-24 US disclosed
EP-1303258-B1 NOVEL AEROSOL FORMULATION CONTAINING A POLAR FLUORINATED MOLECULE ASTRAZENECA AB (SE) 2006-10-11 EP disclosed
US-20030194378-A1 Novel aerosol formulation containing a polar fluorinated molecule ASTRAZENECA AB (SE) 2003-10-16 US disclosed
EP-1303258-A1 NOVEL AEROSOL FORMULATION CONTAINING A POLAR FLUORINATED MOLECULE AstraZeneca AB (SE) 2003-04-23 EP disclosed
WO-2002003958-A1 NOVEL AEROSOL FORMULATION CONTAINING A POLAR FLUORINATED MOLECULE ASTRAZENECA AB (SE) 2002-01-17 WO disclosed
US-6191070-B1 Pyrimidinone derivatives and herbicides containing them SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-02-20 US disclosed
EP-0902029-A1 Pyrimidinone derivatives and herbicides containing them SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-03-17 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 (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-20220234996-A1 Method for Producing (3S)-3-(4-chloro-3-{[(2S,3R)-2-(4-chlorophenyl)-4,4,4-trifluoro-3-methylbutanoyl]amino}phenyl)-3-cyclo-propylpropanoic Acid and the Crystalline Form Thereof for Use as a Pharmaceutical Ingredient FABP3, PCCA, HMGCR NPSR1 2391/4885HCAR2 61/4885ALDH1A1 1277/4885
US-20100160434-A1 ORGANIC SULFUR COMPOUND AND ITS USE FOR CONTROLLING HARMFUL ARTHROPOD C5, L3MBTL3, C1S NPSR1 746/4885HCAR2 4223/4885ALDH1A1 363/4885
US-20210179541-A1 Method for Producing (3S)-3-(4-chloro-3-{[(2S,3R)-2-(4-chlorophenyl)-4,4,4-trifluoro-3-methylbutanoyl]amino}phenyl)-3-cyclo-propylpropanoic Acid and the Crystalline Form Thereof for Use as a Pharmaceutical Ingredient FABP3, PCCA, HMGCR NPSR1 2391/4885HCAR2 61/4885ALDH1A1 1277/4885
US-11332435-B2 Method for producing (3S)-3-(4-chloro-3-{[(2S,3R)-2-(4- chlorophenyl)-4,4,4-trifluoro-3-methylbutanoyl]amino}phenyl)-3-cyclo-propylpropanoic acid and the crystalline form thereof for use as a pharmaceutical ingredient FABP3, PCCA, HMGCR NPSR1 2391/4885HCAR2 61/4885ALDH1A1 1277/4885

“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.