SCHEMBL806970

SCHEMBL806970

CCS(=O)(=O)c1ccc(F)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
PSIP1 O75475 2/20 0.46
KMT2A Q03164 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.46
KIF11 P52732 1/20 0.43
SOS1 Q07889 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
PTGS2 P35354 1/20 0.41
CYP2D6 P10635 1/20 0.41
PNMT P11086 1/20 0.41
HTT P42858 1/20 0.40
SCD O00767 1/20 0.40
BRD4 O60885 1/20 0.40
CCL2 P13500 1/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 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
SCHEMBL12186138 0.83 GAA (0.44) GAAPSIP1TDP1PTGDR2KIF11
SCHEMBL19447435 0.83 PSEN1 (0.45) GAAPSIP1KMT2APTGDR2KIF11
SCHEMBL14837371 0.83 TSHR (0.50) GAAPSIP1KMT2APTGS2HTT
SCHEMBL806977 0.82 CA2 (0.63) GAAPSIP1PTGDR2KIF11PNMT
SCHEMBL30812197 0.82 GAA (0.42) GAAPSIP1PTGDR2KIF11CYP1A2
SCHEMBL30602398 0.82 GAA (0.42) GAAPSIP1PTGDR2KIF11CYP1A2
SCHEMBL2112292 0.82 GAA (0.42) GAAPSIP1PTGDR2KIF11CYP1A2
SCHEMBL16964272 0.82 TDP1 (0.47) GAAPSIP1KMT2ATDP1PTGDR2
SCHEMBL585199 0.82 PTGS2 (0.49) KMT2APTGDR2SOS1PTGS2PSEN1
SCHEMBL1368381 0.82 GAA (0.42) GAAPSIP1PTGDR2KIF11CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113226321-B Pyrazolyl compounds and methods of use thereof 阿利安制药有限责任公司 2024-12-17 CN disclosed
CN-113226321-A Pyrazolyl compounds and methods of use thereof 阿利安制药有限责任公司 2021-08-06 CN disclosed
US-11053221-B2 Substituted pyrimidines for inhibiting embryonic leucine zipper kinase activity ARRIEN PHARMACEUTICALS LLC (US) 2021-07-06 US disclosed
US-11053221-B2 Substituted pyrimidines for inhibiting embryonic leucine zipper kinase activity ARRIEN PHARMACEUTICALS LLC (US) 2021-07-06 US disclosed
US-20200131154-A1 PYRAZOLYL COMPOUNDS AND METHODS OF USE THEREOF ARRIEN PHARMACEUTICALS LLC 2020-04-30 US disclosed
US-20200131154-A1 PYRAZOLYL COMPOUNDS AND METHODS OF USE THEREOF ARRIEN PHARMACEUTICALS LLC 2020-04-30 US disclosed
US-20150274664-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT Marck Sharp & Dohme Corp. (US) 2015-10-01 US disclosed
US-20150274664-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT Marck Sharp & Dohme Corp. (US) 2015-10-01 US disclosed
US-20150274664-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT Marck Sharp & Dohme Corp. (US) 2015-10-01 US disclosed
EP-2900242-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS Merck Sharp & Dohme Corp. (US) 2015-08-05 EP disclosed
EP-1756076-A1 HETROARYL BENZAMIDE DERIVATIVES FOR USE AS GLK ACTIVATORS IN THE TREATMENT OF DIABETES AstraZeneca AB (SE) 2007-02-28 EP disclosed
WO-2006125958-A1 2-PHENYL SUBSTITUTED IMIDAZOL [4 , 5B] PYRIDINE/ PYRAZINE AND PURINE DERIVATIVES AS GLUCOKINASE MODULATORS ASTRAZENECA AB (SE) 2006-11-30 WO disclosed
EP-1718624-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS GLUCOKINASE ACTIVATING AGENTS AstraZeneca AB (SE) 2006-11-08 EP disclosed
EP-1656361-A1 PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-17 EP disclosed
WO-2006040529-A1 BENZAMIDE DERIVATIVES THAT ACT UPON THE GLUCOKINASE ENZYME ASTRAZENECA AB (SE) 2006-04-20 WO disclosed
WO-2006040529-A1 BENZAMIDE DERIVATIVES THAT ACT UPON THE GLUCOKINASE ENZYME ASTRAZENECA AB (SE) 2006-04-20 WO disclosed
WO-2005121110-A1 HETROARYL BENZAMIDE DERIVATIVES FOR USE AS GLK ACTIVATORS IN THE TREATMENT OF DIABETES ASTRAZENECA AB (SE) 2005-12-22 WO disclosed
US-20050209241-A1 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. 2005-09-22 US disclosed
WO-2005080359-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS GLUCOKINAE ACTIVATING AGENTS ASTRAZENECA AB (SE) 2005-09-01 WO disclosed
WO-2005014563-A1 PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-02-17 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-20050209241-A1 Benzoyl-piperazine derivatives SLC1A2, SLC18A2, SLC6A7 GAA 76/4885PSIP1 2608/4885KMT2A 1183/4885
US-11053221-B2 Substituted pyrimidines for inhibiting embryonic leucine zipper kinase activity MELK, TK1, DCK GAA 2311/4885PSIP1 2584/4885KMT2A 962/4885
US-20150274664-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT GPR119, GCGR, GPR139 GAA 1354/4885PSIP1 3819/4885KMT2A 4493/4885
US-20200131154-A1 PYRAZOLYL COMPOUNDS AND METHODS OF USE THEREOF PAICS, MCL1, TP53 GAA 3380/4885PSIP1 1688/4885KMT2A 784/4885

“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.