SCHEMBL6693535

SCHEMBL6693535

COc1ccccc1C(=O)c1cc(C)ccc1NC(=O)Nc1nc(CNC(=O)NCC(=O)O)cs1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.48
GAA P10253 1/20 0.48
MAPK1 P28482 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
PKM P14618 1/20 0.44
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX12 P18054 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 2/20 0.42

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
SCHEMBL1342590 0.91 MAPK1 (0.50) TP53GAAMAPK1L3MBTL1PKM
SCHEMBL1344045 0.89 MAPK1 (0.49) TP53GAAMAPK1L3MBTL1PKM
SCHEMBL6704336 0.88 L3MBTL1 (0.46) TP53GAAMAPK1L3MBTL1PKM
SCHEMBL6700224 0.87 MAPK1 (0.48) TP53GAAMAPK1L3MBTL1PKM
SCHEMBL1344133 0.85 MAPK1 (0.48) TP53GAAMAPK1L3MBTL1ALDH1A1
SCHEMBL1343111 0.85 L3MBTL1 (0.45) TP53GAAMAPK1L3MBTL1PKM
SCHEMBL1343238 0.84 L3MBTL1 (0.51) TP53GAAMAPK1L3MBTL1ALDH1A1
SCHEMBL1341272 0.81 L3MBTL1 (0.51) GAAMAPK1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL1341969 0.81 L3MBTL1 (0.51) TP53GAAMAPK1L3MBTL1ALDH1A1
SCHEMBL1343194 0.80 TP53 (0.52) TP53GAAPKMALDH1A1SMN1; SMN2

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-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents VTV THERAPEUTICS LLC 2004-06-24 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-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 TP53 2961/4885GAA 48/4885MAPK1 1277/4885

“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.