SCHEMBL16604232

SCHEMBL16604232

CCc1cc(-c2n[nH]c(=S)n2-c2ccc3c(c2)nc(C)n3C)c(O)cc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.51
HSP90AB1 P08238 4/20 0.51
KDM4E B2RXH2 5/20 0.46
GAA P10253 3/20 0.46
LMNA P02545 2/20 0.46
PAX8 Q06710 1/20 0.46
MAPT P10636 4/20 0.44
HSP90B1 P14625 1/20 0.40
TRAP1 Q12931 1/20 0.40
HPGD P15428 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
STAT3 P40763 1/20 0.39
GLA P06280 1/20 0.39
APOBEC3G Q9HC16 2/20 0.39
TSHR P16473 1/20 0.39
HDAC1 Q13547 1/20 0.38
MAPK9 P45984 1/20 0.37
MAPK10 P53779 1/20 0.37

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
SCHEMBL16772879 0.89 HSP90AA1 (0.48) HSP90AA1HSP90AB1KDM4EGAALMNA
SCHEMBL421407 0.89 HSP90AA1 (0.48) HSP90AA1HSP90AB1KDM4EGAALMNA
SCHEMBL421460 0.86 HSP90AA1 (0.53) HSP90AA1HSP90AB1KDM4EGAALMNA
SCHEMBL421403 0.84 KDM4E (0.45) HSP90AA1HSP90AB1KDM4EGAALMNA
SCHEMBL421198 0.84 HSP90AB1 (0.72) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL12684878 0.84 HSP90AB1 (0.58) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL421132 0.84 HSP90AA1 (0.48) HSP90AA1HSP90AB1KDM4EGAALMNA
SCHEMBL421085 0.83 HSP90AA1 (0.52) HSP90AA1HSP90AB1KDM4EGAALMNA
SCHEMBL421095 0.82 HSP90AA1 (0.52) HSP90AA1HSP90AB1KDM4EGAALMNA
SCHEMBL4566924 0.82 HSP90AA1 (0.46) HSP90AA1HSP90AB1KDM4EGAALMNA

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-20150094349-A1 Method for Treating Proliferative Disorders Associated with Protooncogene Products SYNTA PHARMACEUTICALS CORP (US) 2015-04-02 US disclosed
US-20150094349-A1 Method for Treating Proliferative Disorders Associated with Protooncogene Products SYNTA PHARMACEUTICALS CORP (US) 2015-04-02 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-20150094349-A1 Method for Treating Proliferative Disorders Associated with Protooncogene Products HSP90AB1, HSP90AB2P, HSP90AA1 HSP90AA1 3/4885HSP90AB1 1/4885KDM4E 2879/4885

“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.