SCHEMBL30875475

SCHEMBL30875475

CC(C)(C)OC(=O)Nc1ccc2c(c1)CC(=O)C2

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA9 Q16790 1/20 0.49
CYP17A1 P05093 2/20 0.45
NR1I3 Q14994 5/20 0.45
MAPT P10636 1/20 0.43
PSMB8 P28062 1/20 0.43
MMP8 P22894 6/20 0.43
MMP3 P08254 3/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PRKDC P78527 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL14037479 0.90 NR1I3 (0.47) CA12CA1CA9NR1I3MAPT
SCHEMBL1114945 0.85 RAB9A (0.56) CA12CA1CA9CYP17A1NR1I3
SCHEMBL30476642 0.83 NPC1 (0.53) CA12CA1CA9NR1I3MAPT
SCHEMBL19996133 0.83 NPC1 (0.53) CA12CA1CA9NR1I3MAPT
SCHEMBL15022432 0.81 MAPT (0.52) CA12CA1CA9CYP17A1NR1I3
SCHEMBL7046627 0.81 CA12 (0.47) CA12CA1CA9CYP17A1NR1I3
SCHEMBL31169451 0.81 NPC1 (0.57) NR1I3MAPTNPC1RAB9AALDH1A1
SCHEMBL13783463 0.81 NPC1 (0.60) MAPTNPC1RAB9AALDH1A1GAA
SCHEMBL13783462 0.79 CA12 (0.49) CA12CA1CA9CYP17A1NR1I3
SCHEMBL29986825 0.79 ITGB3 (0.47) CA12CA1CA9NR1I3MMP8

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-20240050428-A1 COMPOUNDS AND METHODS OF TREATING CANCERS CULLGEN (SHANGHAI), INC. (CN) 2024-02-15 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-20240050428-A1 COMPOUNDS AND METHODS OF TREATING CANCERS GSPT1, GGT1, VHL CA12 941/4885CA1 1066/4885CA9 284/4885

“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.