SCHEMBL449272

SCHEMBL449272

CCNC(=S)N(C)N(CC)C(=O)CS(=O)(=O)NN(C)C(=S)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.42
HSP90AB1 P08238 1/20 0.42
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
POLB P06746 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL446516 0.91 HSP90AA1 (0.42) HSP90AA1HSP90AB1KDM4ENPC1RAB9A
SCHEMBL2473542 0.79 HSP90AA1 (0.48) HSP90AA1HSP90AB1KDM4ENPC1RAB9A
SCHEMBL464655 0.74 HSP90AA1 (0.68) HSP90AA1HSP90AB1KDM4ENPC1RAB9A
SCHEMBL13380766 0.73 HSP90AA1 (0.57) HSP90AA1HSP90AB1KDM4ENPC1RAB9A
SCHEMBL446308 0.72 HSP90AA1 (0.54) HSP90AA1HSP90AB1NPC1RAB9ASMN1; SMN2
SCHEMBL445761 0.71 HSP90AA1 (0.59) HSP90AA1HSP90AB1KDM4ENPC1RAB9A
SCHEMBL445766 0.70 HSP90AA1 (0.58) HSP90AA1HSP90AB1NPC1RAB9ASMN1; SMN2
SCHEMBL448191 0.69 HSP90AA1 (0.53) HSP90AA1HSP90AB1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL446362 0.69 HSP90AA1 (0.63) HSP90AA1HSP90AB1ALDH1A1MAPTLMNA
SCHEMBL445596 0.68 HSP90AA1 (0.59) HSP90AA1HSP90AB1KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680100-B2 Sulfonylhydrazide compounds for treating proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2014-03-25 US disclosed
US-20120065206-A1 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 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 (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-20120065206-A1 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS PKD1, PKD2, PCNA HSP90AA1 2300/4885HSP90AB1 1711/4885KDM4E 3417/4885

“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.