SCHEMBL2655811

SCHEMBL2655811

COc1ccccc1C(=O)c1cc(C)ccc1NC(=O)Nc1ncc(CCS(=O)(=O)c2ncc[nH]2)s1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
AURKA O14965 1/20 0.38
KMT2A Q03164 4/20 0.37
PKM P14618 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 2/20 0.35
KCNMA1 Q12791 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
POLB P06746 1/20 0.34
MAPK13 O15264 1/20 0.34
MAPK14 Q16539 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
SCHEMBL1340800 0.92 TP53 (0.42) TP53GAAAURKAKMT2APKM
SCHEMBL1342648 0.87 TP53 (0.43) TP53GAAAURKAKMT2APKM
SCHEMBL1343344 0.86 TP53 (0.45) TP53GAAKMT2APKMRXFP1
SCHEMBL2650152 0.84 TP53 (0.41) TP53GAAAURKAKMT2APKM
SCHEMBL6696522 0.84 TP53 (0.42) TP53GAAAURKAKMT2APKM
SCHEMBL1342128 0.83 TP53 (0.42) TP53GAAKMT2APKMRXFP1
SCHEMBL1343448 0.83 TP53 (0.45) TP53GAAAURKAKMT2ARXFP1
SCHEMBL1342426 0.83 PTGDR2 (0.44) TP53GAAAURKAKMT2ANPC1
SCHEMBL2656451 0.82 TP53 (0.43) TP53GAAAURKAKMT2APKM
SCHEMBL6702451 0.82 TP53 (0.46) TP53GAAAURKAKMT2APKM

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1531815-A1 GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2005-05-25 EP disclosed
US-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents VTV THERAPEUTICS LLC 2004-06-24 US disclosed
WO-2004002481-A1 ARYL CARBONYL DERIVATIVES AS THERAPEUTIC AGENTS NOVO NORDISK A/S (DK) 2004-01-08 WO 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 48/4885AURKA 3432/4885

“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.