SCHEMBL17323701

SCHEMBL17323701

CCOC(=O)C(=O)c1cnc(C)cc1NC(=O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 5/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 4/20 0.38
HPGD P15428 3/20 0.38
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CETP P11597 1/20 0.35
GPR35 Q9HC97 2/20 0.35
PKM P14618 1/20 0.35
FOS P01100 1/20 0.35
JUN P05412 1/20 0.35
NFKB1 P19838 1/20 0.35

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
SCHEMBL15904213 0.89 GPR35 (0.39) GAANPC1RAB9ASMN1; SMN2HTT
SCHEMBL15919608 0.89 GABRP (0.39) GAANPC1RAB9ASMN1; SMN2HTT
SCHEMBL15919742 0.84 GSK3B (0.37) GAANPC1RAB9ASMN1; SMN2HTT
SCHEMBL31547757 0.81 TSHR (0.45) GAANPC1RAB9ASMN1; SMN2HTT
SCHEMBL4255346 0.81 TSHR (0.45) GAANPC1RAB9ASMN1; SMN2HTT
SCHEMBL15919530 0.80 GAA (0.53) GAASMN1; SMN2HTTKDM4ECYP2C19
SCHEMBL4254113 0.78 TSHR (0.43) NPC1RAB9ASMN1; SMN2HTTKDM4E
SCHEMBL17323724 0.77 ACACB (0.37) GAA
SCHEMBL16367862 0.73 CETP (0.41) GAANPC1RAB9ASMN1; SMN2HTT
SCHEMBL1989692 0.73 HTT (0.51) NPC1RAB9ASMN1; SMN2HTTKDM4E

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 GAA 6/4885NPC1 565/4885RAB9A 2721/4885

“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.