SCHEMBL1048477

SCHEMBL1048477

CC(C)(C)C(=O)O[C@@H](C(=O)Nc1ccc(Cl)cc1[C@@](O)(C#CC1CC1)C(F)(F)F)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
GAA P10253 2/20 0.47
LMNA P02545 3/20 0.39
POLB P06746 1/20 0.39
PCTP Q9UKL6 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
AR P10275 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RBP4 P02753 1/20 0.35
GRIK1 P39086 1/20 0.35
MAPT P10636 1/20 0.34
HTR1E P28566 1/20 0.34
S1PR3 Q99500 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL2119858 1.00 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2GAALMNAPOLB
SCHEMBL2609244 0.90 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2GAALMNAPOLB
SCHEMBL12929226 0.86 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2GAALMNAPOLB
SCHEMBL523375 0.81 PDK1 (0.46) SMN1; SMN2ARMEN1KMT2ARBP4
SCHEMBL523374 0.81 PDK1 (0.46) SMN1; SMN2ARMEN1KMT2ARBP4
SCHEMBL13685998 0.79 AR (0.47) ALDH1A1SMN1; SMN2GAALMNAAR
SCHEMBL1051707 0.79 AR (0.47) ALDH1A1SMN1; SMN2GAALMNAAR
SCHEMBL16556712 0.78 AR (0.43) ALDH1A1SMN1; SMN2LMNAPOLBL3MBTL1
SCHEMBL17378666 0.76 AR (0.44) ALDH1A1SMN1; SMN2LMNAL3MBTL1AR
SCHEMBL1048265 0.74 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2GAALMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2456773-A1 METHODS OF MAKING EFAVIRENZ AND INTERMEDIATES THEREOF Apotex Pharmachem Inc. (CA) 2012-05-30 EP claimed
US-8080655-B2 Methods of making efavirenz and intermediates thereof APOTEX PHARMACHEM INC. (CA) 2011-12-20 US claimed
WO-2011009203-A1 METHODS OF MAKING EFAVIRENZ AND INTERMEDIATES THEREOF APOTEX PHARMACHEM INC. (CA) 2011-01-27 WO claimed
US-20110015189-A1 METHODS OF MAKING EFAVIRENZ AND INTERMEDIATES THEREOF APOTEX PHARMACHEM INC. (CA) 2011-01-20 US claimed
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-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
US-8080655-B2 Methods of making efavirenz and intermediates thereof APOTEX PHARMACHEM INC. (CA) 2011-12-20 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
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
US-20110015189-A1 METHODS OF MAKING EFAVIRENZ AND INTERMEDIATES THEREOF APOTEX PHARMACHEM INC. (CA) 2011-01-20 US 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 3125/4885GAA 992/4885
US-20120095249-A1 METHODS OF MAKING EFAVIRENS AND INTERMEDIATES THEREOF CYP2F1, CYP4F11, CYP4F3 ALDH1A1 223/4885SMN1; SMN2 3009/4885GAA 926/4885

“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.