SCHEMBL29548431

SCHEMBL29548431

CC(C)(C)OC(=O)[C@@H]1C[C@](O)(CO)CN1C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.37
NR1H2 P55055 1/20 0.35
ABCB1 P08183 1/20 0.34
HSD17B10 Q99714 1/20 0.33
MAPK1 P28482 1/20 0.33
IMPDH2 P12268 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
EPHX2 P34913 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
SPHK1 Q9NYA1 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL29548176 1.00 HDAC8 (0.37) HDAC8NR1H2ABCB1HSD17B10MAPK1
SCHEMBL16635559 0.92 IMPDH2 (0.39) HDAC8NR1H2ABCB1HSD17B10MAPK1
SCHEMBL16647818 0.92 IMPDH2 (0.39) HDAC8NR1H2ABCB1HSD17B10MAPK1
SCHEMBL16774511 0.89 HSD17B10 (0.39) HDAC8NR1H2ABCB1HSD17B10SMN1; SMN2
SCHEMBL18610732 0.85 SPHK1 (0.35) HDAC8NR1H2ABCB1SMN1; SMN2SPHK1
SCHEMBL16803406 0.85 SPHK1 (0.35) HDAC8NR1H2ABCB1SMN1; SMN2SPHK1
SCHEMBL3512985 0.82 KMT2A (0.34) HDAC8HSD17B10IMPDH2SPHK1MEN1
SCHEMBL13967436 0.81 FKBP1A (0.43) ABCB1
SCHEMBL12480719 0.81 FKBP1A (0.43) ABCB1
SCHEMBL2380326 0.81 IMPDH2 (0.39) HDAC8NR1H2HSD17B10MAPK1IMPDH2

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-20230416199-A1 INHIBITORS OF AMINO ACID TRANSPORT ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2023-12-28 US disclosed
WO-2022087630-A1 INHIBITORS OF AMINO ACID TRANSPORT ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2022-04-28 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-20230416199-A1 INHIBITORS OF AMINO ACID TRANSPORT SLC1A5, SLC7A1, SLC7A5 HDAC8 3071/4885NR1H2 2000/4885ABCB1 130/4885

“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.