SCHEMBL448003

SCHEMBL448003

CCNN(C(=S)N1CCOCC1)S(=O)(=O)CC(=O)NN(C)C(=S)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
PHGDH O43175 1/20 0.41
SMN1; SMN2 Q16637 7/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.35
LMNA P02545 3/20 0.35
SLC6A9 P48067 1/20 0.35
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 2/20 0.34

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
SCHEMBL451630 0.81 HSP90AA1 (0.47) HSP90AA1HSP90AB1PHGDHSMN1; SMN2RAB9A
SCHEMBL449259 0.75 HSP90AA1 (0.54) HSP90AA1HSP90AB1SMN1; SMN2RAB9ANPC1
SCHEMBL449157 0.75 HSP90AA1 (0.51) HSP90AA1HSP90AB1SMN1; SMN2RAB9ANPC1
SCHEMBL447103 0.74 HSP90AA1 (0.53) HSP90AA1HSP90AB1SMN1; SMN2RAB9ANPC1
SCHEMBL446744 0.73 HSP90AA1 (0.51) HSP90AA1HSP90AB1SMN1; SMN2RAB9ANPC1
SCHEMBL448081 0.72 HSP90AA1 (0.50) HSP90AA1HSP90AB1SMN1; SMN2RAB9ANPC1
SCHEMBL451054 0.70 HSP90AA1 (0.45) HSP90AA1HSP90AB1SMN1; SMN2RAB9ANPC1
SCHEMBL464711 0.70 HSP90AA1 (0.70) HSP90AA1HSP90AB1SMN1; SMN2RAB9ANPC1
SCHEMBL445821 0.70 MAPT (0.48) HSP90AA1HSP90AB1RAB9ANPC1KMT2A
SCHEMBL2469915 0.69 HSP90AA1 (0.58) HSP90AA1HSP90AB1SMN1; SMN2RAB9ANPC1

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 1711/4885PHGDH 1409/4885

“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.