SCHEMBL1129987

SCHEMBL1129987

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
ALDH1A1 P00352 7/20 0.40
TRPA1 O75762 1/20 0.40
ALOX15 P16050 3/20 0.38
CYP3A4 P08684 2/20 0.38
TSHR P16473 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
HSD17B10 Q99714 2/20 0.37
CHRM1 P11229 1/20 0.37
ADORA1 P30542 1/20 0.37
MMP8 P22894 1/20 0.36
CYP1A2 P05177 1/20 0.35
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
CYP2D6 P10635 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 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
SCHEMBL8668654 0.92 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL27383612 0.85 GAA (0.40) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL31252242 0.85 GAA (0.40) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL3389138 0.85 CYP1A2 (0.41) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL9419145 0.83 CA1 (0.42) GAAMGAMSIMGAM2ALDH1A1
Hydrochloric Acid SCHEMBL1262979 0.83 CYP1A2 (0.40) GAAMGAMSIMGAM2ALDH1A1
Hydrochloric Acid SCHEMBL1260836 0.82 CYP1A2 (0.43) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28923720 0.82 GAA (0.38) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28232656 0.82 GAA (0.38) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1130822 0.82 TSHR (0.37) GAAMGAMSIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4423069-A1 INHIBITORS OF HIF-2ALPHA AND METHODS OF USE THEREOF Arcus Biosciences, Inc. (US) 2024-09-04 EP disclosed
US-12071411-B2 Inhibitors of HIF-2α and methods of use thereof ARCUS BIOSCIENCES, INC. (US) 2024-08-27 US disclosed
CN-118176183-A HIF-2 alpha inhibitors and methods of use thereof 艾库斯生物科学有限公司 2024-06-11 CN disclosed
US-20230159466-A1 INHIBITORS OF HIF-2ALPHA AND METHODS OF USE THEREOF ARCUS BIOSCIENCES, INC. 2023-05-25 US disclosed
WO-2023077046-A1 INHIBITORS OF HIF-2ALPHA AND METHODS OF USE THEREOF ARCUS BIOSCIENCES, INC. (US) 2023-05-04 WO disclosed
EP-2334684-B1 PYRAZOLOPYRIMIDINES AND THEIR USE FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INT (DE) 2017-08-02 EP disclosed
EP-2300478-B1 1-HETEROCYCLYL-1,5-DIHYDRO-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MODULATORS BOEHRINGER INGELHEIM INT (DE) 2016-03-23 EP disclosed
US-9102679-B2 Compounds for the treatment of CNS disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-08-11 US disclosed
US-9102679-B2 Compounds for the treatment of CNS disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-08-11 US disclosed
US-9096603-B2 1-heterocyclyl-1,5-dihydro-pyrazolo[3,4-D] pyrimidin-4-one derivatives and their use as PDE9A modulators BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-08-04 US disclosed
US-20110082137-A1 NEW COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-07 US disclosed
US-20110082137-A1 NEW COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-07 US disclosed
EP-2160378-B1 ORGANIC SULFUR COMPOUND AND ITS USE FOR CONTROLLING HARMFUL ARTHROPOD SUMITOMO CHEMICAL CO (JP) 2011-02-16 EP disclosed
WO-2010112437-A1 1-HETEROCYCLYL-1, 5-DIHYDRO-PYRAZOLO [3, 4-D] PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MODULATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-07 WO disclosed
US-20100160430-A1 ORGANIC SULFUR COMPOUND AND ITS USE FOR CONTROLLING HARMFUL ARTHROPOD SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-24 US disclosed
CN-101754950-A Organic sulfur compound and its use for controlling harmful arthropod SUMITOMO CHEMICAL CO 2010-06-23 CN disclosed
WO-2010026214-A1 PYRAZOLOPYRIMIDINES AND THEIR USE FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-11 WO disclosed
EP-2160378-A1 ORGANIC SULFUR COMPOUND AND ITS USE FOR CONTROLLING HARMFUL ARTHROPOD Sumitomo Chemical Company, Limited (JP) 2010-03-10 EP disclosed
WO-2009121919-A1 1-HETEROCYCLYL-1,5-DIHYDRO-PYRAZOLO[3,4-D] PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MODULATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-08 WO disclosed
WO-2008143332-A1 ORGANIC SULFUR COMPOUND AND ITS USE FOR CONTROLLING HARMFUL ARTHROPOD SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-11-27 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-20110082137-A1 NEW COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS CHRM1, CHRM2, CHRM5 GAA 767/4885MGAM 3821/4885SI 4692/4885
US-12071411-B2 Inhibitors of HIF-2α and methods of use thereof HIF1AN, HIF1A, EGLN2 GAA 231/4885MGAM 4007/4885SI 2090/4885
US-20230159466-A1 INHIBITORS OF HIF-2ALPHA AND METHODS OF USE THEREOF HIF1AN, HIF1A, EGLN2 GAA 297/4885MGAM 4384/4885SI 2400/4885
US-20100160430-A1 ORGANIC SULFUR COMPOUND AND ITS USE FOR CONTROLLING HARMFUL ARTHROPOD L3MBTL4, L3MBTL3, L3MBTL1 GAA 4718/4885MGAM 3422/4885SI 4696/4885

“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.