SCHEMBL25847752

SCHEMBL25847752

CN[C@@H](Cc1ccc(F)cc1)C(=O)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.46
HPGD P15428 1/20 0.44
NOS2 P35228 2/20 0.44
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
MAPK1 P28482 1/20 0.42
ACE P12821 1/20 0.42
MME P08473 1/20 0.41
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40

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
SCHEMBL23306946 0.85 TRPA1 (0.45) TRPA1HPGDNOS2NOS3NOS1
SCHEMBL23660917 0.85 TRPA1 (0.45) TRPA1HPGDNOS2NOS3NOS1
SCHEMBL13347943 0.85 FOLH1 (0.50) ACEMMEGAA
SCHEMBL13768444 0.85 ADAMTS4 (0.38) ALDH1A1ACEMMECA2
SCHEMBL681500 0.83 SLC6A2 (0.46) NOS2ALDH1A1CA9KMT2AMEN1
SCHEMBL24711923 0.83 NOS2 (0.46) TRPA1HPGDNOS2NOS3NOS1
SCHEMBL805199 0.83 ALDH1A1 (0.56) TRPA1NOS2NOS3NOS1ALDH1A1
SCHEMBL24172622 0.83 TAAR1 (0.53) ALDH1A1ACEMME
SCHEMBL4608578 0.83 ALDH1A1 (0.56) TRPA1NOS2NOS3NOS1ALDH1A1
SCHEMBL14640223 0.83 TAAR1 (0.53) ALDH1A1ACEMME

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-11708391-B2 Rapaglutins, novel inhibitors of GLUT and use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2023-07-25 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 (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-11708391-B2 Rapaglutins, novel inhibitors of GLUT and use thereof SLC2A1, SLC2A4, SLC2A2 TRPA1 4209/4885HPGD 3458/4885NOS2 3020/4885

“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.