SCHEMBL6697191

SCHEMBL6697191

COc1ccccc1C(=O)c1cc(C)ccc1NC(=O)Nc1ncc(CSc2ccc(CC(=O)O)cc2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 3/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
KCNMA1 Q12791 1/20 0.39
LMNA P02545 3/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 2/20 0.38
AURKA O14965 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MITF O75030 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SIRT2 Q8IXJ6 2/20 0.37
NTRK1 P04629 2/20 0.37
NTRK2 Q16620 2/20 0.37
CCNE1 P24864 1/20 0.36

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
SCHEMBL1343023 0.92 TP53 (0.43) TP53GAASMN1; SMN2MAPTPOLB
SCHEMBL1342589 0.92 TP53 (0.43) TP53GAASMN1; SMN2MAPTPOLB
SCHEMBL1342615 0.91 TP53 (0.48) TP53GAASMN1; SMN2MAPTPOLB
SCHEMBL6695518 0.89 TP53 (0.45) TP53GAASMN1; SMN2MAPTKCNMA1
SCHEMBL6701475 0.88 TP53 (0.46) TP53GAASMN1; SMN2MAPTPTGDR2
SCHEMBL1343075 0.88 TP53 (0.53) TP53GAASMN1; SMN2MAPTPOLB
SCHEMBL1343021 0.86 TP53 (0.44) TP53GAASMN1; SMN2MAPTKCNMA1
SCHEMBL1341845 0.85 PTGDR2 (0.46) TP53GAASMN1; SMN2MAPTPOLB
SCHEMBL1342426 0.84 PTGDR2 (0.44) TP53GAASMN1; SMN2MAPTPOLB
SCHEMBL1341725 0.84 GAA (0.45) TP53GAASMN1; SMN2MAPTKCNMA1

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 48/4885SMN1; SMN2 2958/4885

“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.