SCHEMBL13737795

SCHEMBL13737795

CCCS(=O)(=O)NCCCCNC(=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.58
TGM2 P21980 1/20 0.55
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
KEAP1 Q14145 3/20 0.53
NFE2L2 Q16236 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.50
MAPT P10636 1/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
FOLH1 Q04609 2/20 0.47
CASP1 P29466 1/20 0.47
ANPEP P15144 1/20 0.47

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
SCHEMBL8290406 0.84 HTT (0.70) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL3364812 0.83 HTT (0.68) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL10659971 0.83 HTT (0.68) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL11973884 0.83 HTT (0.68) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL16692630 0.83 HTT (0.68) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL28969063 0.83 HTT (0.68) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL10599151 0.83 HTT (0.68) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL1667805 0.82 HTT (0.72) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL18254066 0.82 HTT (0.81) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL917878 0.81 HTT (0.67) HTTTGM2LMNASMN1; SMN2KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10544100-B2 Autophagy inhibitors TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2020-01-28 US disclosed
US-20180290980-A1 Autophagy Inhibitors VAN ANDEL RESEARCH INSTITUTE 2018-10-11 US disclosed
US-20170000784-A1 Autophagy Inhibitors VAN ANDEL RESEARCH INSTITUTE 2017-01-05 US disclosed
US-20160137607-A1 Autophagy Inhibitors VAN ANDEL RESEARCH INSTITUTE 2016-05-19 US disclosed
US-9221760-B2 Autophagy inhibitors VAN ANDEL RESEARCH INSTITUTE (US) 2015-12-29 US disclosed
WO-2015085229-A1 AUTOPHAGY INHIBITORS VAN ANDEL RESEARCH INSTITUTE (US) 2015-06-11 WO disclosed
US-20140148451-A1 Autophagy Inhibitors TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2014-05-29 US disclosed
WO-2012154879-A2 AUTOPHAGY INHIBITORS VAN ANDEL RESEARCH INSTITUTE (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 (5 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-10544100-B2 Autophagy inhibitors BECN1, ATG7, SQSTM1 HTT 918/4885TGM2 1556/4885LMNA 2419/4885
US-20170000784-A1 Autophagy Inhibitors BRAF, HRAS, NRAS HTT 2443/4885TGM2 3236/4885LMNA 1164/4885
US-20140148451-A1 Autophagy Inhibitors BECN1, ATG7, SQSTM1 HTT 918/4885TGM2 1556/4885LMNA 2419/4885
US-20160137607-A1 Autophagy Inhibitors BECN1, ATG7, SQSTM1 HTT 918/4885TGM2 1556/4885LMNA 2419/4885
US-20180290980-A1 Autophagy Inhibitors BECN1, ATG7, SQSTM1 HTT 918/4885TGM2 1556/4885LMNA 2419/4885

“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.