SCHEMBL23030366

SCHEMBL23030366

CNC(CC(=O)C(C)C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.39
NFKB1 P19838 1/20 0.39
PTGS2 P35354 1/20 0.39
THPO P40225 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FOLH1 Q04609 2/20 0.38
NAALAD2 Q9Y3Q0 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
MME P08473 3/20 0.34
ENPEP Q07075 3/20 0.33
RNPEP Q9H4A4 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
SCHEMBL22111186 0.82 ALDH1A1 (0.33) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL19361690 0.80 ALDH1A1 (0.38) ACEMAPTKDM4ETHRBALOX15
SCHEMBL18496861 0.79 MAPT (0.40) ACEMAPTKDM4ETHRBALOX15
SCHEMBL10308573 0.78 FOLH1 (0.41) FOLH1NAALAD2ALDH1A1MEN1LMNA
SCHEMBL18556359 0.78 MAPT (0.61) ACEMAPTKDM4ETHRBALOX15
SCHEMBL26917989 0.78 ACE (0.50) ACEMAPTKDM4ETHRBALOX15
SCHEMBL18880053 0.78 FOLH1 (0.39) ACEMAPTKDM4ETHRBALOX15
SCHEMBL26044832 0.78 FOLH1 (0.41) FOLH1NAALAD2ALDH1A1MEN1LMNA
N-Methyl-D-Aspartic Acid (Nmda) SCHEMBL18528187 0.78 CA2 (0.45) MAPTKDM4ETHRBALOX15NFKB1
N-Methyl-D-Aspartic Acid (Nmda) SCHEMBL167682 0.78 CA2 (0.45) MAPTKDM4ETHRBALOX15NFKB1

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-20230295092-A1 18F - TAGGED INHIBITORS OF PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA) AND THEIR USE AS IMAGING AGENTS FOR PROSTATE CANCER DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2023-09-21 US disclosed
US-20210053922-A1 18F - TAGGED INHIBITORS OF PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA) AND THEIR USE AS IMAGING AGENTS FOR PROSTATE CANCER DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2021-02-25 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 (2 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-20210053922-A1 18F - TAGGED INHIBITORS OF PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA) AND THEIR USE AS IMAGING AGENTS FOR PROSTATE CANCER KLK3, FOLH1, MPI ACE 1740/4885MAPT 469/4885KDM4E 2235/4885
US-20230295092-A1 18F - TAGGED INHIBITORS OF PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA) AND THEIR USE AS IMAGING AGENTS FOR PROSTATE CANCER KLK3, FOLH1, MPI ACE 1740/4885MAPT 469/4885KDM4E 2235/4885

“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.