SCHEMBL4299339

SCHEMBL4299339

CC(CC(=O)O)CC(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
BHMT Q93088 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
CACNA2D1 P54289 2/20 0.34
CACNB3 P54284 1/20 0.34
CACNA1C Q13936 1/20 0.34
PGR P06401 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR2B P41595 1/20 0.34
CACNA2D2 Q9NY47 1/20 0.34
CYP1A2 P05177 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.32
GABRR1 P24046 1/20 0.31

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
SCHEMBL12886358 1.00 ALDH1A1 (0.41) ALDH1A1BHMTSLC22A6TDP1CACNA2D1
SCHEMBL4428175 1.00 ALDH1A1 (0.41) ALDH1A1BHMTSLC22A6TDP1CACNA2D1
SCHEMBL4293645 0.79
SCHEMBL25436796 0.79 BHMT (0.43) ALDH1A1BHMTSLC22A6TDP1CACNA2D1
SCHEMBL143938 0.78 SLC22A6 (0.38) ALDH1A1BHMTSLC22A6TDP1CACNA2D1
SCHEMBL12868852 0.77 SMN1; SMN2 (0.36) ALDH1A1SLC22A6TDP1CACNA2D1CACNB3
SCHEMBL12868853 0.77 SMN1; SMN2 (0.36) ALDH1A1SLC22A6TDP1CACNA2D1CACNB3
SCHEMBL1913764 0.77 CACNA2D1 (0.59) ALDH1A1CACNA2D1CACNB3CACNA1CPGR
SCHEMBL3112896 0.77 CACNA2D1 (0.59) ALDH1A1CACNA2D1CACNB3CACNA1CPGR
SCHEMBL3116784 0.77 CACNA2D1 (0.59) ALDH1A1CACNA2D1CACNB3CACNA1CPGR

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4143195-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 Janssen Pharmaceutica NV (BE) 2023-03-08 EP disclosed
CN-105980387-B Serine/threonine kinase inhibitor 阵列生物制药公司 2019-04-19 CN disclosed
CN-102459579-B Synthetic oplophorus luciferase with enhanced light output 普罗梅加公司 2018-02-09 CN disclosed
EP-3089980-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2018-01-31 EP disclosed
US-9670208-B2 Serine/threonine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-06-06 US disclosed
EP-3089980-A1 SERINE/THREONINE KINASE INHIBITORS Array Biopharma, Inc. (US) 2016-11-09 EP disclosed
US-20160304519-A1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-10-20 US disclosed
CN-105980387-A Serine/threonine kinase inhibitors 阵列生物制药公司 2016-09-28 CN disclosed
WO-2015103137-A1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2015-07-09 WO disclosed
US-20090298856-A1 2,3 Substituted fused bicyclic pyrimidin-4(3H)-ones modulating the function of the vanilliod-1receptor (VR1) BROWN REBECCA ELIZABETH 2009-12-03 US disclosed
EP-2061470-A2 HALOALKYL-SUBSTITUTED PYRIMIDINONE DERIVATIVES Neurogen Corporation (US) 2009-05-27 EP disclosed
US-20080090845-A1 Haloalkyl-substituted pyrimidinone derivatives NEUROGEN CORPORATION (US) 2008-04-17 US disclosed
US-20080090845-A1 Haloalkyl-substituted pyrimidinone derivatives NEUROGEN CORPORATION (US) 2008-04-17 US disclosed
US-20080090845-A1 Haloalkyl-substituted pyrimidinone derivatives NEUROGEN CORPORATION (US) 2008-04-17 US disclosed
WO-2008024433-A2 HALOALKYL-SUBSTITUTED PYRIMIDINONE DERIVATIVES NEUROGEN CORPORATION (US) 2008-02-28 WO disclosed
WO-2008024433-A2 HALOALKYL-SUBSTITUTED PYRIMIDINONE DERIVATIVES NEUROGEN CORPORATION (US) 2008-02-28 WO disclosed
EP-1881988-A1 2,3-SUBSTITUTED FUSED BICYCLIC PYRIMIDIN-4(3H)-ONES MODULATING THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LTD. (GB) 2008-01-30 EP disclosed
WO-2006122200-A1 2,3-SUBSTITUTED FUSED BICYCLIC PYRIMIDIN-4(3H)-ONES MODULATING THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LIMITED (GB) 2006-11-16 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 (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-20080090845-A1 Haloalkyl-substituted pyrimidinone derivatives PIGS, GPR174, GPR17 ALDH1A1 461/4885BHMT 2296/4885SLC22A6 732/4885
US-20090298856-A1 2,3 Substituted fused bicyclic pyrimidin-4(3H)-ones modulating the function of the vanilliod-1receptor (VR1) TRPV1, TRPV2, TRPV4 ALDH1A1 897/4885BHMT 3595/4885SLC22A6 1377/4885
US-20160304519-A1 SERINE/THREONINE KINASE INHIBITORS TTBK1, MAP3K1, TNNI3K ALDH1A1 3535/4885BHMT 1058/4885SLC22A6 2736/4885

“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.