SCHEMBL465605

SCHEMBL465605

O=[C]c1ccc(OC(F)(F)C(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TRPV1 Q8NER1 4/20 0.42
EPHX2 P34913 1/20 0.35
PTGES2 Q9H7Z7 2/20 0.35
MAPT P10636 2/20 0.34
HTT P42858 2/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
SCN9A Q15858 1/20 0.33
ACACB O00763 1/20 0.33
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL11124297 0.87 ALDH1A1 (0.58) ALDH1A1TSHRHSD17B10TRPV1EPHX2
SCHEMBL1907911 0.82 ALDH1A1 (0.48) ALDH1A1TSHRHSD17B10TRPV1EPHX2
SCHEMBL97113 0.81 EPHX2 (0.47) ALDH1A1TSHRHSD17B10TRPV1EPHX2
SCHEMBL2515193 0.78 PIM1 (0.43) EPHX2MAPTHCRTR1HCRTR2SCN9A
SCHEMBL17103390 0.78 MAPT (0.32) EPHX2MAPTACACB
SCHEMBL17103328 0.78 EPHX2 (0.32) EPHX2ACACB
SCHEMBL8136787 0.76 TSHR (0.41) ALDH1A1TSHRHSD17B10TRPV1EPHX2
SCHEMBL28724030 0.76 HTT (0.48) ALDH1A1TSHRMAPTHTTACACB
SCHEMBL28807311 0.74 ALDH1A1 (0.31) ALDH1A1TSHRHSD17B10HTTACACB
SCHEMBL17103575 0.74 EPHX2 (0.31) EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2755983-B1 SUBSTITUTED CARBONYLOXYMETHYLPHOSPHORAMIDATE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS IDENIX PHARMACEUTICALS LLC (US) 2017-03-15 EP claimed
US-9403863-B2 Substituted carbonyloxymethylphosphoramidate compounds and pharmaceutical compositions for the treatment of viral infections IDENIX PHARMACEUTICALS LLC (US) 2016-08-02 US claimed
WO-2024112705-A1 BORONIC ACID AND BORONATE COMPOSITIONS AND METHODS ELIMA THERAPEUTICS, INC. (US) 2024-05-30 WO disclosed
US-20240101562-A1 NOVEL COMPOUND, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING RESISTANT CANCER, COMPRISING SAME HOLOSMEDIC (KR) 2024-03-28 US disclosed
US-11866515-B2 Hemiasterlin derivatives for conjugation and therapy SUTRO BIOPHARMA, INC. (US) 2024-01-09 US disclosed
EP-3131914-B1 3'-SUBSTITUTED METHYL OR ALKYNYL NUCLEOSIDES FOR THE TREATMENT OF HCV IDENIX PHARMACEUTICALS LLC (US) 2023-05-10 EP disclosed
US-20230139442-A1 MODIFIED AMINO ACIDS SUTRO BIOPHARMA, INC. 2023-05-04 US disclosed
EP-4174068-A1 NOVEL COMPOUND, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING RESISTANT CANCER, COMPRISING SAME Holosmedic (KR) 2023-05-03 EP disclosed
CN-115916206-A Novel compound and pharmaceutical composition for preventing or treating resistant cancer comprising same 治愈医药社株式会社 2023-04-04 CN disclosed
US-11548852-B2 Modified amino acids SUTRO BIOPHARMA, INC. (US) 2023-01-10 US disclosed
EP-4074728-A1 MODIFIED PEPTIDES COMPRISING AN AZIDO GROUP Sutro Biopharma, Inc. (US) 2022-10-19 EP disclosed
WO-2005020884-A2 NUCLEOSIDES FOR TREATMENT OF INFECTION BY CORONA VIRUSES, TOGA VIRUSES AND PICORNA VIRUSES IDENIX (CAYMAN) LIMITED (KY) 2005-03-10 WO disclosed
US-20050031588-A1 With purine or pyrimidine base; for use in combination with drugs that induce mutation in Flaviviridae at location other than mutation of nucleotide that results in change from serine to a different amino acid in highly conserved consensus sequence XRXSGXXXT of domain B of the RNA polymerase region IDENIX PHARMACEUTICALS LLC 2005-02-10 US disclosed
WO-2005003147-A2 MODIFIED FLUORINATED NUCLEOSIDE ANALOGUES PHARMASSET, INC. (US) 2005-01-13 WO disclosed
US-20050009737-A1 Modified fluorinated nucleoside analogues GILEAD SCIENCES, INC. 2005-01-13 US disclosed
WO-2004046331-A2 2’-BRANCHED NUCLEOSIDES AND FLAVIVIRIDAE MUTATION IDENIX (CAYMAN) LIMITED (KY) 2004-06-03 WO disclosed
US-20040077587-A1 2'-C-methyl-3'-O-L-valine ester ribofuranosyl cytidine for treatment of flaviviridae infections IDENIX PHARMACEUTICALS, INC. 2004-04-22 US disclosed
WO-2004002999-A2 MODIFIED 2' AND 3' -NUCLEOSIDE PRODUGS FOR TREATING FLAVIRIDAE INFECTIONS IDENIX (CAYMAN) LIMITED (KY) 2004-01-08 WO disclosed
WO-2004002422-A2 2’-C-METHYL-3’-O-L-VALINE ESTER RIBOFURANOSYL CYTIDINE FOR TREATMENT OF FLAVIVIRIDAE INFECTIONS IDENIX (CAYMAN) LIMITED (KY) 2004-01-08 WO disclosed
WO-2004003000-A2 1’-, 2'- AND 3'- MODIFIED NUCLEOSIDE DERIVATIVES FOR TREATING FLAVIVIRIDAE INFECTIONS IDENIX (CAYMAN) LIMITED (KY) 2004-01-08 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 (7 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-20050031588-A1 With purine or pyrimidine base; for use in combination with drugs that induce mutation in Flaviviridae at location other than mutation of nucleotide that results in change from serine to a different amino acid in highly conserved consensus sequence XRXSGXXXT of domain B of the RNA polymerase region PNP, NSUN2, RNGTT ALDH1A1 3858/4885TSHR 3679/4885HSD17B10 3632/4885
US-11548852-B2 Modified amino acids PTMS, DNPEP, ANPEP ALDH1A1 2116/4885TSHR 592/4885HSD17B10 4458/4885
US-11866515-B2 Hemiasterlin derivatives for conjugation and therapy CYP17A1, HSD17B7, SHBG ALDH1A1 1882/4885TSHR 1951/4885HSD17B10 59/4885
US-20240101562-A1 NOVEL COMPOUND, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING RESISTANT CANCER, COMPRISING SAME SLC11A2, ABCC1, TSG101 ALDH1A1 3381/4885TSHR 4766/4885HSD17B10 1797/4885
US-20040077587-A1 2'-C-methyl-3'-O-L-valine ester ribofuranosyl cytidine for treatment of flaviviridae infections NSUN2, BCDIN3D, METTL16 ALDH1A1 2796/4885TSHR 4611/4885HSD17B10 2957/4885
US-20230139442-A1 MODIFIED AMINO ACIDS PTMS, DNPEP, ANPEP ALDH1A1 2116/4885TSHR 592/4885HSD17B10 4458/4885
US-20050009737-A1 Modified fluorinated nucleoside analogues NSUN2, NT5C3B, METTL3 ALDH1A1 2698/4885TSHR 2486/4885HSD17B10 2959/4885

“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.