SCHEMBL24728902

SCHEMBL24728902

CC(C)N(CC[C@@](C)(CN)CCNC(=O)OC(C)(C)C)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CA1 P00915 11/20 0.36
CA2 P00918 10/20 0.36
CA12 O43570 8/20 0.36
CA9 Q16790 7/20 0.36
MALT1 Q9UDY8 1/20 0.36
CA7 P43166 2/20 0.35
CA14 Q9ULX7 1/20 0.35
EPHX1 P07099 1/20 0.35
PTPRB P23467 1/20 0.33

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
SCHEMBL21871858 0.81 MEN1 (0.51) MEN1GAAKMT2ATDP1MAOA
SCHEMBL4114478 0.76 MEN1 (0.46) MEN1GAAKMT2ATDP1MAOA
SCHEMBL23905245 0.74 TDP1 (0.44) MEN1GAAKMT2ATDP1MAOA
SCHEMBL22535992 0.71 MEN1 (0.54) MEN1GAAKMT2ATDP1MAOA
SCHEMBL23744212 0.71 MEN1 (0.54) MEN1GAAKMT2ATDP1MAOA
SCHEMBL23643797 0.70 MEN1 (0.50) MEN1GAAKMT2ATDP1MAOA
SCHEMBL5052626 0.70 TDP1 (0.49) MEN1GAAKMT2ATDP1MAOA
SCHEMBL25796713 0.70 TDP1 (0.57) MEN1GAAKMT2ATDP1MAOA
SCHEMBL15612944 0.69 TDP1 (0.55) MEN1GAAKMT2ATDP1MAOA
SCHEMBL2523550 0.69 TDP1 (0.55) MEN1GAAKMT2ATDP1MAOA

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-20220389025-A1 HETEROCYCLIC AMIDE COMPOUND, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2022-12-08 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-20220389025-A1 HETEROCYCLIC AMIDE COMPOUND, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PREPARATION METHOD THEREFOR AND USE THEREOF STING1, CGAS, MYD88 MEN1 1377/4885GAA 667/4885KMT2A 3196/4885

“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.