SCHEMBL13739786

SCHEMBL13739786

CC(=O)Nc1sc2c(c1C#N)CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.55
KMT2A Q03164 8/20 0.55
GAA P10253 2/20 0.55
ALDH1A1 P00352 7/20 0.54
MAPT P10636 7/20 0.54
KDM4E B2RXH2 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.52
ADORA1 P30542 2/20 0.51
LMNA P02545 3/20 0.50
NPSR1 Q6W5P4 3/20 0.50
NPC1 O15118 1/20 0.50
MITF O75030 1/20 0.50
POLB P06746 1/20 0.50
RAB9A P51151 1/20 0.50
CASP6 P55212 1/20 0.50
PAX8 Q06710 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
BPTF Q12830 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
SCHEMBL14408985 0.86 GCGR (0.58) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL3421633 0.85 ALDH1A1 (0.62) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL17194176 0.84 ADORA1 (0.55) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL3423870 0.83 MAPT (0.66) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL13734175 0.83 ADORA1 (0.54) GAAALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL13739988 0.83 ADORA1 (0.54) GAAALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL2643572 0.83 MEN1 (0.56) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL13736559 0.82 ADORA1 (0.68) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL2644838 0.82 MEN1 (0.55) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL28453179 0.82 STAT3 (0.68) MEN1KMT2AALDH1A1MAPTKDM4E

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 MEN1 4255/4885KMT2A 4747/4885GAA 335/4885

“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.