SCHEMBL24023255

SCHEMBL24023255

CCOC(=O)CC(=O)CC(=O)C(C)(C)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.48
MGAM O43451 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
ALDH1A1 P00352 3/20 0.36
TRPA1 O75762 1/20 0.36
POLB P06746 1/20 0.35
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
MMP8 P22894 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.32
MLYCD O95822 1/20 0.32
HDAC3 O15379 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
SCHEMBL20797824 0.91 GAA (0.54) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL25223809 0.83 GAA (0.54) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL6935043 0.81 GAA (0.56) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL27165197 0.80 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL155563 0.78 GAA (0.78) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL23009371 0.77 TDP1 (0.39) HSD17B10CYP1A2
SCHEMBL31517849 0.76 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28650988 0.76 GAA (0.74) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL20690184 0.76 GAA (0.54) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL24023256 0.75 LDHA (0.33) HIF1A

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-20210353607-A1 PI3K INHIBITORS AND USES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2021-11-18 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-20210353607-A1 PI3K INHIBITORS AND USES THEREOF PIK3CA, AKT3, GSK3B GAA 682/4885MGAM 1361/4885SI 185/4885

“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.