SCHEMBL25769641

SCHEMBL25769641

CC(=O)C(C)(C)NCC(C)C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
MMP1 P03956 1/20 0.37
MMP8 P22894 1/20 0.37
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
MLYCD O95822 1/20 0.32
KISS1R Q969F8 3/20 0.31
EPHX1 P07099 2/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPT P10636 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31

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
SCHEMBL6131608 0.85 CYP2D6 (0.32) CYP2D6CYP2C19ALDH1A1TDP1GAA
SCHEMBL21322186 0.83 CYP2D6 (0.46) CYP2D6CYP2C19MMP1MMP8ALDH1A1
SCHEMBL2847967 0.81 CYP2D6 (0.39) CYP2D6CYP2C19MMP1MMP8ADH1B
SCHEMBL7460121 0.80 ADRB2 (0.36)
SCHEMBL15359354 0.74 CYP2D6 (0.34) CYP2D6CYP2C19MMP1MMP8GAA
SCHEMBL5313345 0.74
SCHEMBL18756282 0.73 CYP2D6 (0.36) CYP2D6CYP2C19
SCHEMBL7127257 0.73 GAA (0.35) ALDH1A1TDP1GAA
SCHEMBL23979216 0.71
SCHEMBL15116744 0.70 GAA (0.30) GAA

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-20230212155-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. 2023-07-06 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 (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-20230212155-A1 PD-1/PD-L1 INHIBITORS PDCD1, CD274, PDCD1LG2 CYP2D6 1710/4885CYP2C19 3244/4885MMP1 3754/4885

“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.