SCHEMBL455553

SCHEMBL455553

CC(=O)N(C(=O)CC(=O)NN(C)C(=S)c1ccc(C#N)cc1)N(C)C(=S)c1ccc(C#N)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.48
HSP90AB1 P08238 1/20 0.48
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 3/20 0.35
NSD2 O96028 1/20 0.34
GSK3B P49841 1/20 0.34
SIGMAR1 Q99720 2/20 0.34
TMEM97 Q5BJF2 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
MEN1 O00255 2/20 0.33
TRPA1 O75762 1/20 0.32
EPHX2 P34913 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
TSHR P16473 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL441067 0.92 HSP90AA1 (0.41) HSP90AA1HSP90AB1ALDH1A1MAPTKMT2A
SCHEMBL12154052 0.85 HSP90AA1 (0.65) HSP90AA1HSP90AB1ALDH1A1MAPTKMT2A
SCHEMBL439018 0.84 HSP90AA1 (0.69) HSP90AA1HSP90AB1ALDH1A1MAPTKMT2A
SCHEMBL14300445 0.77 HSP90AA1 (0.55) HSP90AA1HSP90AB1ALDH1A1MAPTKMT2A
SCHEMBL13042524 0.76 HSP90AA1 (0.53) HSP90AA1HSP90AB1ALDH1A1MAPTKMT2A
SCHEMBL440511 0.73 HSP90AA1 (0.68) HSP90AA1HSP90AB1ALDH1A1MAPTKMT2A
SCHEMBL12808729 0.71 HSP90AA1 (0.64) HSP90AA1HSP90AB1ALDH1A1GSK3B
SCHEMBL13264967 0.68 HSP90AA1 (0.73) HSP90AA1HSP90AB1ALDH1A1KMT2AGSK3B
SCHEMBL12154032 0.68 HSP90AA1 (0.58) HSP90AA1HSP90AB1ALDH1A1GSK3B
SCHEMBL12153965 0.67 HSP90AA1 (0.71) HSP90AA1HSP90AB1ALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140342999-A1 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2014-11-20 US disclosed
US-20140342999-A1 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2014-11-20 US disclosed
US-8729111-B2 Compounds for treating proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2014-05-20 US disclosed
US-8729111-B2 Compounds for treating proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2014-05-20 US disclosed
US-20120065235-A1 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. 2012-03-15 US disclosed
US-20120065235-A1 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. 2012-03-15 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 (2 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-20120065235-A1 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS HSP90AB1, HSF1, HSP90B1 HSP90AA1 6/4885HSP90AB1 1/4885ALDH1A1 690/4885
US-20140342999-A1 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS HSP90AB1, HSF1, HSP90B1 HSP90AA1 6/4885HSP90AB1 1/4885ALDH1A1 690/4885

“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.