SCHEMBL1048265

SCHEMBL1048265

CC(C)(C)C(=O)OC(C(=O)Nc1ccc(Cl)cc1C(=O)C(F)(F)F)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
L3MBTL1 Q9Y468 4/20 0.47
NPSR1 Q6W5P4 2/20 0.47
GAA P10253 4/20 0.46
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 3/20 0.40
POLB P06746 1/20 0.40
PCTP Q9UKL6 1/20 0.40
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
GRIK1 P39086 1/20 0.39
KLK7 P49862 1/20 0.39
KDM4E B2RXH2 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
HTR1E P28566 1/20 0.39
S1PR3 Q99500 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL1048264 1.00 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2L3MBTL1NPSR1GAA
SCHEMBL2609240 0.88 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2L3MBTL1NPSR1GAA
SCHEMBL12929258 0.82 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2L3MBTL1NPSR1LMNA
SCHEMBL30572402 0.75 RAB9A (0.53) ALDH1A1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL2472815 0.75 RAB9A (0.53) ALDH1A1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL6379090 0.74 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2L3MBTL1NPSR1GAA
SCHEMBL2119858 0.74 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2L3MBTL1NPSR1GAA
SCHEMBL1048477 0.74 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2L3MBTL1NPSR1GAA
Hydrochloric Acid SCHEMBL31498256 0.73 RAB9A (0.51) ALDH1A1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL2609244 0.73 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2L3MBTL1NPSR1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8378143-B2 Methods of making Efavirens and intermediates thereof APOTEX PHARMACHEM INC. (CA) 2013-02-19 US disclosed
EP-2456773-A1 METHODS OF MAKING EFAVIRENZ AND INTERMEDIATES THEREOF Apotex Pharmachem Inc. (CA) 2012-05-30 EP disclosed
US-20120095249-A1 METHODS OF MAKING EFAVIRENS AND INTERMEDIATES THEREOF APOTEX PHARMACHEM INC. (CA) 2012-04-19 US disclosed
US-8080655-B2 Methods of making efavirenz and intermediates thereof APOTEX PHARMACHEM INC. (CA) 2011-12-20 US disclosed
WO-2011009203-A1 METHODS OF MAKING EFAVIRENZ AND INTERMEDIATES THEREOF APOTEX PHARMACHEM INC. (CA) 2011-01-27 WO disclosed
US-20110015189-A1 METHODS OF MAKING EFAVIRENZ AND INTERMEDIATES THEREOF APOTEX PHARMACHEM INC. (CA) 2011-01-20 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-20110015189-A1 METHODS OF MAKING EFAVIRENZ AND INTERMEDIATES THEREOF CYP2F1, CYP4F11, CYP4F3 ALDH1A1 290/4885SMN1; SMN2 3125/4885L3MBTL1 4041/4885
US-20120095249-A1 METHODS OF MAKING EFAVIRENS AND INTERMEDIATES THEREOF CYP2F1, CYP4F11, CYP4F3 ALDH1A1 223/4885SMN1; SMN2 3009/4885L3MBTL1 4539/4885

“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.