SCHEMBL26565362

SCHEMBL26565362

CCc1cc(C(=O)c2ccc3nc(Cl)cc(-c4cccc(O[Si](C(C)C)(C(C)C)C(C)C)c4)c3c2)ccc1Br

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.34
PRKAB2 O43741 1/20 0.32
PRKAG1 P54619 1/20 0.32
PRKAA2 P54646 1/20 0.32
PRKAA1 Q13131 1/20 0.32
PRKAG3 Q9UGI9 1/20 0.32
PRKAG2 Q9UGJ0 1/20 0.32
PRKAB1 Q9Y478 1/20 0.32
DGAT2 Q96PD7 2/20 0.31
LTB4R Q15722 2/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NR1H2 P55055 3/20 0.31
NR1H3 Q13133 3/20 0.31
RXRA P19793 2/20 0.31
RXRB P28702 2/20 0.31
FOS P01100 1/20 0.31
JUN P05412 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
SCHEMBL26565239 0.89 LTB4R (0.38) DGAT2LTB4RMTNR1AMTNR1BL3MBTL1
SCHEMBL26565356 0.88 LTB4R (0.35) DGAT2LTB4RMTNR1AMTNR1BALDH1A1
SCHEMBL26565412 0.86 ALDH1A1 (0.35) ALDH1A1L3MBTL1RXRARXRBFOS
SCHEMBL26565540 0.82 DGAT2 (0.36) DGAT2ALDH1A1NR1H2NR1H3SMN1; SMN2
SCHEMBL26565186 0.82 LTB4R (0.38) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL31722958 0.81 NR1H2 (0.34) DGAT2LTB4RMTNR1AMTNR1BALDH1A1
SCHEMBL25653049 0.81 NR1H2 (0.34) DGAT2LTB4RMTNR1AMTNR1BALDH1A1
SCHEMBL26565274 0.79 LTB4R (0.37) DGAT2LTB4RMTNR1AMTNR1BNR1H2
SCHEMBL25221940 0.79 PRNP (0.38) ALDH1A1SMN1; SMN2MAPTDPP4
SCHEMBL31059232 0.79 PRNP (0.38) ALDH1A1SMN1; SMN2MAPTDPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018011-B2 Macrocyclic compounds and compositions, and methods of preparing and using the same KURA ONCOLOGY, INC. (US) 2024-06-25 US disclosed
US-20230322711-A1 MACROCYCLIC COMPOUNDS AND COMPOSITIONS, AND METHODS OF PREPARING AND USING THE SAME WUXI APPTEC (HONG KONG) LIMITED (CN) 2023-10-12 US 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 (2 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-12018011-B2 Macrocyclic compounds and compositions, and methods of preparing and using the same FNTA, FDPS, GGPS1 PTGS2 2724/4885PRKAB2 1575/4885PRKAG1 892/4885
US-20230322711-A1 MACROCYCLIC COMPOUNDS AND COMPOSITIONS, AND METHODS OF PREPARING AND USING THE SAME FNTA, FDPS, GGPS1 PTGS2 2724/4885PRKAB2 1575/4885PRKAG1 892/4885

“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.