SCHEMBL13740573

SCHEMBL13740573

CC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1)CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
LMNA P02545 1/20 0.58
MAPK1 P28482 1/20 0.58
ADORA1 P30542 2/20 0.53
KDM4E B2RXH2 2/20 0.49
MAPT P10636 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
PDE4D Q08499 1/20 0.49
CXCR2 P25025 1/20 0.48
TP53 P04637 1/20 0.48
MKNK1 Q9BUB5 1/20 0.47
ANO1 Q5XXA6 2/20 0.47
PPARA Q07869 1/20 0.47
APOBEC3A P31941 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
ANO2 Q9NQ90 1/20 0.46

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
SCHEMBL13739025 0.86 ADORA1 (0.70) ALDH1A1MEN1KMT2ALMNAMAPK1
SCHEMBL13736559 0.86 ADORA1 (0.68) ALDH1A1MEN1KMT2AADORA1KDM4E
SCHEMBL20353950 0.84 MKNK1 (0.56) ALDH1A1MEN1KMT2ALMNAMAPK1
SCHEMBL13739821 0.83 FABP4 (0.52) ALDH1A1MEN1KMT2AADORA1KDM4E
SCHEMBL13833844 0.83 ALDH1A1 (0.62) ALDH1A1MEN1KMT2ALMNAADORA1
SCHEMBL21260643 0.79 MEN1 (0.62) ALDH1A1MEN1KMT2ALMNAADORA1
SCHEMBL13832372 0.79 ADORA1 (0.71) ALDH1A1MEN1KMT2ALMNAADORA1
SCHEMBL13740208 0.79 KMT2A (0.64) ALDH1A1MEN1KMT2ALMNAMAPK1
SCHEMBL20339213 0.79 MKNK1 (0.49) ALDH1A1MEN1KMT2ALMNAMAPK1
SCHEMBL13739988 0.78 ADORA1 (0.54) ALDH1A1ADORA1KDM4EMAPTMKNK1

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 2924/4885MEN1 4255/4885KMT2A 4747/4885

“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.