SCHEMBL440512

SCHEMBL440512

CC(=O)N(C(=O)CC(=O)NN(C)C(=S)C1CC1)N(C)C(=S)C1CC1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31

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
SCHEMBL437883 0.89 HSP90AA1 (0.31) HSP90AA1HSP90AB1
SCHEMBL10049993 0.81 HSP90AA1 (0.43) HSP90AA1HSP90AB1
SCHEMBL14292615 0.75 HSP90AA1 (0.36) HSP90AA1HSP90AB1
SCHEMBL13654193 0.75 HSP90AA1 (0.39) HSP90AA1HSP90AB1
SCHEMBL13238109 0.75 HSP90AA1 (0.41) HSP90AA1HSP90AB1
SCHEMBL13238124 0.75 HSP90AA1 (0.41) HSP90AA1HSP90AB1
SCHEMBL13238115 0.73 CES2 (0.40) HSP90AA1HSP90AB1
SCHEMBL13843473 0.72 HSP90AA1 (0.36) HSP90AA1HSP90AB1
SCHEMBL13292803 0.71 HSP90AA1 (0.32) HSP90AA1HSP90AB1
SCHEMBL13238102 0.70 ALDH1A1 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100003341-A1 COMPOSITION WITH A BACTERICIDAL, FUNGICIDAL, VIRICIDAL AND INSECTICIDAL ACTION AND COMPOSITION ACTING AS A REPELLENT BESENDORFER THOMAS 2010-01-07 US claimed
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-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-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
US-20120065235-A1 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. 2012-03-15 US disclosed
US-20120064171-A1 Pesticide Composition BEDO HOLDING AG (CH) 2012-03-15 US disclosed
US-8062676-B2 Pesticide composition BEDO HOLDING AG (CH) 2011-11-22 US disclosed
US-20100003341-A1 COMPOSITION WITH A BACTERICIDAL, FUNGICIDAL, VIRICIDAL AND INSECTICIDAL ACTION AND COMPOSITION ACTING AS A REPELLENT BESENDORFER THOMAS 2010-01-07 US disclosed
US-20080181968-A1 Pesticide Composition BEDO HOLDING AG (CH) 2008-07-31 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 1/4885
US-20140342999-A1 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS HSP90AB1, HSF1, HSP90B1 HSP90AA1 6/4885HSP90AB1 1/4885

“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.