SCHEMBL26029591

SCHEMBL26029591

CC(C)CCOc1ccc2c(c1)CCNS2(=O)=O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.54
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
EPHX2 P34913 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
MEN1 O00255 1/20 0.36
SIGMAR1 Q99720 5/20 0.35
S1PR1 P21453 1/20 0.35
S1PR5 Q9H228 1/20 0.35
HTR2B P41595 1/20 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
SCHEMBL25904264 0.85 AOC3 (0.57) AOC3KMT2AMAPTHRH3MEN1
SCHEMBL25317219 0.83 AOC3 (0.60) AOC3HRH3
SCHEMBL25315042 0.81 AOC3 (0.53) AOC3HRH3
SCHEMBL25903923 0.80 GPR119 (0.49) KMT2ATDP1MAPTMAPK1EPHX2
SCHEMBL26030108 0.79 AOC3 (0.35) AOC3KMT2ATDP1MAPTMAPK1
SCHEMBL26022348 0.78 GPR119 (0.43) KMT2ATDP1MAPTMAPK1EPHX2
SCHEMBL22713834 0.78 AOC3 (0.53) AOC3HTR2B
SCHEMBL29798486 0.78 AOC3 (0.53) AOC3HTR2B
SCHEMBL26022350 0.76 HRH3 (0.40) KMT2ATDP1MAPTMAPK1HRH3
SCHEMBL24481560 0.73 AOC3 (0.42) AOC3

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-20230265096-A1 APOL1 INHIBITORS AND METHODS OF USE HERCULES CAPITAL, INC., AS AGENT 2023-08-24 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-20230265096-A1 APOL1 INHIBITORS AND METHODS OF USE APOL1, APOB, LDLR AOC3 152/4885KMT2A 4715/4885TDP1 761/4885

“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.