SCHEMBL13738440

SCHEMBL13738440

COC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
TP53 P04637 2/20 0.52
CASP1 P29466 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
MAPT P10636 2/20 0.52
CASP7 P55210 1/20 0.52
KDM4E B2RXH2 3/20 0.52
HSD17B10 Q99714 2/20 0.52
GAA P10253 1/20 0.52
CNR2 P34972 3/20 0.49
CNR1 P21554 2/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
ALOX12 P18054 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TNF P01375 1/20 0.49

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
SCHEMBL13738138 0.91 NPC1 (0.61) ALDH1A1TP53NPSR1MEN1KMT2A
SCHEMBL16007346 0.88 HPGD (0.51) ALDH1A1TP53CASP1NPSR1MEN1
SCHEMBL13739687 0.88 TP53 (0.57) ALDH1A1TP53CASP1NPSR1MEN1
SCHEMBL16007457 0.85 ALDH1A1 (0.50) ALDH1A1TP53CASP1NPSR1MEN1
SCHEMBL13833844 0.84 ALDH1A1 (0.62) ALDH1A1TP53CASP1NPSR1MEN1
SCHEMBL16007470 0.82 ALDH1A1 (0.49) ALDH1A1TP53CASP1NPSR1MEN1
SCHEMBL21260643 0.82 MEN1 (0.62) ALDH1A1TP53CASP1NPSR1MEN1
SCHEMBL16450569 0.81 KMT2A (0.54) ALDH1A1TP53NPSR1MEN1KMT2A
SCHEMBL19475094 0.79 PDE4D (0.66) ALDH1A1TP53CASP1NPSR1MEN1
SCHEMBL16450570 0.78 KMT2A (0.53) ALDH1A1TP53NPSR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130072473-A1 COMPOUNDS FOR TREATING PROTEIN FOLDING DISORDERS PROTEOSTASIS THERAPEUTICS, INC. 2013-03-21 US disclosed
US-20130072473-A1 COMPOUNDS FOR TREATING PROTEIN FOLDING DISORDERS PROTEOSTASIS THERAPEUTICS, INC. 2013-03-21 US disclosed
US-20130072473-A1 COMPOUNDS FOR TREATING PROTEIN FOLDING DISORDERS PROTEOSTASIS THERAPEUTICS, INC. 2013-03-21 US disclosed
WO-2012154888-A1 COMPOUNDS FOR TREATING PROTEIN FOLDING DISORDERS PROTEOSTASIS THERAPEUTICS, INC. (US) 2012-11-15 WO disclosed
WO-2012154888-A1 COMPOUNDS FOR TREATING PROTEIN FOLDING DISORDERS PROTEOSTASIS THERAPEUTICS, INC. (US) 2012-11-15 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-20130072473-A1 COMPOUNDS FOR TREATING PROTEIN FOLDING DISORDERS HSPA5, PSMG3, VCP ALDH1A1 2924/4885TP53 300/4885CASP1 1364/4885

“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.