SCHEMBL17323633

SCHEMBL17323633

CCC(C)C(NC(=O)C(C)C)C(C)=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
MME P08473 2/20 0.39
ACE P12821 2/20 0.39
CPA1 P15085 2/20 0.39
ACE2 Q9BYF1 2/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ENPEP Q07075 4/20 0.37
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
ANPEP P15144 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
FPR2 P25090 2/20 0.34
CNR2 P34972 1/20 0.34
ATM Q13315 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
SCHEMBL23262700 0.84 ALDH1A1 (0.42) ALDH1A1L3MBTL1MMEACECPA1
SCHEMBL17323640 0.83 ALDH1A1 (0.63) ALDH1A1L3MBTL1MMEACECPA1
SCHEMBL20697894 0.83 ALDH1A1 (0.63) ALDH1A1L3MBTL1MMEACECPA1
SCHEMBL20697893 0.83 ALDH1A1 (0.63) ALDH1A1L3MBTL1MMEACECPA1
SCHEMBL19776964 0.83 ALDH1A1 (0.47) ALDH1A1L3MBTL1MMEACECPA1
SCHEMBL12372143 0.83 ALDH1A1 (0.47) ALDH1A1L3MBTL1MMEACECPA1
SCHEMBL18771491 0.83 ALDH1A1 (0.47) ALDH1A1L3MBTL1MMEACECPA1
SCHEMBL18771471 0.83 ALDH1A1 (0.47) ALDH1A1L3MBTL1MMEACECPA1
SCHEMBL8354230 0.83 ALDH1A1 (0.47) ALDH1A1L3MBTL1MMEACECPA1
SCHEMBL18822411 0.82 DPP4 (0.42) ALDH1A1L3MBTL1ENPEP

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-9663488-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. 2015-12-10 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-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO ALDH1A1 289/4885L3MBTL1 1568/4885MME 49/4885

“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.