SCHEMBL5426997

SCHEMBL5426997

CC(C)(C)OC(=O)C(C#N)C(c1cccc2ccccc12)c1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALOX5 P09917 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ATM Q13315 1/20 0.35
CYP2C9 P11712 3/20 0.35
CYP2C19 P33261 2/20 0.35
EDNRA P25101 1/20 0.35
CYP1A2 P05177 1/20 0.35
AOC3 Q16853 1/20 0.35
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
HPGD P15428 2/20 0.34
HTT P42858 1/20 0.34
GAA P10253 2/20 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
SCHEMBL4660021 0.94 CTSS (0.39) CTSSCTSKALDH1A1KDM4EHSD17B10
SCHEMBL4661539 0.93 MEN1 (0.42) CTSSCTSKALDH1A1KDM4EHSD17B10
SCHEMBL4660052 0.92 CTSS (0.41) CTSSCTSKALDH1A1MEN1KMT2A
SCHEMBL4661384 0.91 SLC6A4 (0.38) CTSSCTSKKDM4EMEN1KMT2A
SCHEMBL4660064 0.89 KDM4E (0.38) CTSSCTSKALDH1A1KDM4EHSD17B10
SCHEMBL4661479 0.83 ALDH1A1 (0.45) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL4661393 0.80 KMT2A (0.47) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL4663676 0.79 ALDH1A1 (0.43) ALDH1A1ALOX5CYP2C9CYP2C19CYP1A2
SCHEMBL4660164 0.79 SMN1; SMN2 (0.41) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL4661361 0.78 SMN1; SMN2 (0.41) ALDH1A1MEN1KMT2AHPGDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070299105-A1 2-Cyanopropanoic Acid Amide and Ester Derivatives and Methods of Their Use WYETH (US) 2007-12-27 US claimed

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-20070299105-A1 2-Cyanopropanoic Acid Amide and Ester Derivatives and Methods of Their Use HCAR2, PCCA, MCCC2 CTSS 3385/4885CTSK 3140/4885ALDH1A1 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.