SCHEMBL4597041

SCHEMBL4597041

CCCCCN1C(=O)C(=O)c2cccc(C(F)(F)F)c21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.56
ALDH2 P05091 5/20 0.56
ALDH3A1 P30838 5/20 0.56
CES1 P23141 2/20 0.55
CDC25A P30304 1/20 0.55
MAPT P10636 4/20 0.44
HPGD P15428 4/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
ALOX12 P18054 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
USP2 O75604 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
SCHEMBL28094096 0.96 ALDH1A1 (0.50) ALDH1A1ALDH2ALDH3A1CES1CDC25A
SCHEMBL25119457 0.93 ALDH1A1 (0.54) ALDH1A1ALDH2ALDH3A1CES1CDC25A
SCHEMBL18954670 0.90 ALDH1A1 (0.52) ALDH1A1ALDH2ALDH3A1CES1CDC25A
SCHEMBL18954635 0.84 ALDH1A1 (0.54) ALDH1A1ALDH2ALDH3A1CES1MAPT
SCHEMBL4597172 0.82 ALDH1A1 (0.60) ALDH1A1ALDH2ALDH3A1CES1CDC25A
SCHEMBL18954818 0.81 ALDH1A1 (0.54) ALDH1A1ALDH2ALDH3A1MAPTHPGD
SCHEMBL3024396 0.81 CDC25A (0.61) ALDH1A1ALDH2ALDH3A1CES1CDC25A
SCHEMBL3025248 0.79 ALDH1A1 (0.64) ALDH1A1ALDH2ALDH3A1CES1CDC25A
SCHEMBL6283905 0.78 ALDH1A1 (0.62) ALDH1A1ALDH2ALDH3A1CES1CDC25A
SCHEMBL3023996 0.78 CES1 (0.61) ALDH1A1ALDH2ALDH3A1CES1CDC25A

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
EP-1877378-A2 OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2008-01-16 EP disclosed
US-20070105820-A1 Oxindole compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2007-05-10 US disclosed
WO-2006113864-A2 OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-10-26 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-20070105820-A1 Oxindole compounds and their uses as therapeutic agents OPRL1, OPRK1, TRPV1 ALDH1A1 1136/4885ALDH2 720/4885ALDH3A1 1159/4885

“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.