SCHEMBL6717319

SCHEMBL6717319

Cc1cccc(C)c1NC(=O)C(CC(C)C)NC(=S)Nc1ccccc1C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.54
HPGD P15428 2/20 0.54
ALOX12 P18054 5/20 0.51
ANPEP P15144 2/20 0.51
CAPN1 P07384 1/20 0.49
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
GAA P10253 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP3A4 P08684 1/20 0.47
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MAPT P10636 2/20 0.46
PLA2G1B P04054 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.45
NPC1 O15118 1/20 0.43

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
SCHEMBL6716815 0.81 ALDH1A1 (0.53) ALDH1A1HPGDALOX12CYP1A2CYP2C9
SCHEMBL6715474 0.77 ALDH1A1 (0.48) ALDH1A1HPGDALOX12CYP1A2CYP2C9
SCHEMBL6717325 0.76 POLB (0.43) ALDH1A1HPGDALOX12ANPEPSMN1; SMN2
SCHEMBL6716913 0.76 ALDH1A1 (0.47) ALDH1A1HPGDALOX12CYP1A2CYP2C9
SCHEMBL4011337 0.75 POLB (0.50) ALDH1A1HPGDALOX12CYP1A2CYP2C9
SCHEMBL6717170 0.74 STAT3 (0.55) ALDH1A1HPGDALOX12ANPEPCAPN1
SCHEMBL8345950 0.73 ANPEP (0.46) ALDH1A1ANPEPCAPN1SMN1; SMN2
SCHEMBL75068 0.72 POLB (0.60) ALDH1A1HPGDANPEPPOLBMAPK1
SCHEMBL75067 0.72 POLB (0.60) ALDH1A1HPGDANPEPPOLBMAPK1
SCHEMBL6715497 0.72 ALDH1A1 (0.55) ALDH1A1HPGDALOX12CYP1A2CYP2C9

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-20040152740-A1 Arylglycine derivatives for use as glycine transport inhibitors NPS ALLELIX CORPORATION (CA) 2004-08-05 US disclosed
WO-2004022534-A1 ARYLGLYCINE DERIVATIVES FOR USE AS GLYCINE TRANSPORT INHIBITORS NPS ALLELIX CORP. (CA) 2004-03-18 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 (1 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-20040152740-A1 Arylglycine derivatives for use as glycine transport inhibitors SLC1A2, SLC6A7, SLC1A1 ALDH1A1 572/4885HPGD 619/4885ALOX12 2690/4885

“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.