SCHEMBL9976429

SCHEMBL9976429

CC(C)C(=O)OCc1ccc(Cl)cc1Cl

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.71
L3MBTL1 Q9Y468 2/20 0.57
IDO1 P14902 3/20 0.53
CYP1A2 P05177 3/20 0.52
CYP2C19 P33261 3/20 0.52
CYP2C9 P11712 3/20 0.52
KMT2A Q03164 2/20 0.52
CYP2D6 P10635 2/20 0.52
MEN1 O00255 1/20 0.52
PKM P14618 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
NR4A2 P43354 2/20 0.51
CYP3A4 P08684 3/20 0.50
HTT P42858 2/20 0.50
GALR3 O60755 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
EPHX1 P07099 1/20 0.49
NR4A1 P22736 1/20 0.48
NR4A3 Q92570 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.47

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
SCHEMBL11888397 0.84 GAA (0.64) GAAL3MBTL1IDO1CYP1A2CYP2C19
SCHEMBL3292219 0.82 L3MBTL1 (0.60) GAAL3MBTL1IDO1CYP1A2CYP2C19
SCHEMBL116267 0.81 IDO1 (0.59) GAAL3MBTL1IDO1CYP1A2CYP2C19
SCHEMBL29034669 0.80 GAA (0.59) GAAL3MBTL1IDO1CYP1A2CYP2C19
SCHEMBL8743487 0.79 L3MBTL1 (0.57) GAAL3MBTL1IDO1CYP1A2CYP2C19
SCHEMBL23135797 0.79 GAA (0.55) GAAL3MBTL1IDO1CYP1A2CYP2C19
SCHEMBL12617736 0.79 NPC1 (0.60) GAAL3MBTL1IDO1KMT2AMEN1
SCHEMBL11348210 0.78 GAA (0.64) GAAL3MBTL1CYP1A2CYP2C19CYP2C9
SCHEMBL11348208 0.78 GAA (0.64) GAAL3MBTL1CYP1A2CYP2C19CYP2C9
SCHEMBL11350840 0.77 GAA (0.62) GAAL3MBTL1CYP1A2CYP2C19CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8779191-B2 Methods and compositions for preparing lisdexamfetamine and salts thereof CAMBREX CHARLES CITY, INC. (US) 2014-07-15 US disclosed
US-20120190880-A1 METHODS AND COMPOSITIONS FOR PREPARATION OF AMPHETAMINE CONJUGATES AND SALTS THEREOF BLUE OWL CAPITAL CORPORATION, AS NEW AGENT 2012-07-26 US disclosed
US-20120157706-A1 Methods and Compositions for Preparing Lisdexamfetamine and Salts Thereof AVISTA PHARMA SOLUTIONS, INC. 2012-06-21 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-20120190880-A1 METHODS AND COMPOSITIONS FOR PREPARATION OF AMPHETAMINE CONJUGATES AND SALTS THEREOF PNMT, COMT, DDT GAA 415/4885L3MBTL1 2129/4885IDO1 1911/4885
US-20120157706-A1 Methods and Compositions for Preparing Lisdexamfetamine and Salts Thereof SLC6A3, COMT, LPXN GAA 25/4885L3MBTL1 4157/4885IDO1 3291/4885

“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.