SCHEMBL3389623

SCHEMBL3389623

CC(=O)OCc1c(CBr)cnc(C)c1OC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.47
MAPT P10636 2/20 0.32
KDM4E B2RXH2 4/20 0.32
ALDH1A1 P00352 3/20 0.32
TP53 P04637 1/20 0.31
HSD17B10 Q99714 3/20 0.31
PTPN1 P18031 1/20 0.31
HPGD P15428 1/20 0.30
LMNA P02545 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
SCHEMBL6266333 0.90 CA2 (0.46) CA2MAPTKDM4EALDH1A1TP53
SCHEMBL15920335 0.89 CA2 (0.45) CA2MAPTKDM4EALDH1A1TP53
SCHEMBL11529781 0.88 CA2 (0.34) CA2MAPTKDM4EALDH1A1HSD17B10
SCHEMBL18174873 0.87 CA2 (0.44) CA2MAPTKDM4EALDH1A1TP53
SCHEMBL3392720 0.87 CA2 (0.44) CA2MAPTKDM4EALDH1A1TP53
Acetic Acid SCHEMBL6266322 0.87 CA2 (0.44) CA2MAPTKDM4EALDH1A1TP53
SCHEMBL21089949 0.86 CA2 (0.41) CA2MAPTKDM4EALDH1A1TP53
SCHEMBL24451382 0.86 KDM4E (0.47) CA2MAPTKDM4EALDH1A1TP53
SCHEMBL11452068 0.86 CA2 (0.43) CA2MAPTKDM4EALDH1A1TP53
SCHEMBL21090601 0.85 CA2 (0.42) CA2MAPTKDM4EALDH1A1TP53

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
EP-2145888-A1 Deazapurine derivatives as HSP90-Inhibitors Conforma Therapeutics Corporation (US) 2010-01-20 EP disclosed
US-20070185064-A1 2-Aminopurine Analogs Having HSP90-Inhibiting Activity CONFORMA THERAPEUTICS CORPORATION (US) 2007-08-09 US disclosed
US-7138401-B2 2-aminopurine analogs having HSP90-inhibiting activity CONFORMA THERAPEUTICS CORPORATION (US) 2006-11-21 US disclosed
EP-1670802-A2 NOVEL HETEROCYCLIC COMPOUNDS AS HSP90-INHIBITORS Conforma Therapeutic Corporation (US) 2006-06-21 EP disclosed
US-20050113340-A1 2-Aminopurine analogs having HSP90-inhibiting activity CONFORMA THERAPEUTICS CORPORATION 2005-05-26 US disclosed
WO-2005028434-A2 NOVEL HETEROCYCLIC COMPOUNDS AS HSP90-INHIBITORS CONFORMA THERAPEUTICS CORPORATION (US) 2005-03-31 WO 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-20050113340-A1 2-Aminopurine analogs having HSP90-inhibiting activity HSP90AB2P, HSP90AB1, HSP90AA1 CA2 4096/4885MAPT 2030/4885KDM4E 3577/4885
US-20070185064-A1 2-Aminopurine Analogs Having HSP90-Inhibiting Activity HSP90AB2P, HSP90AB1, HSP90AA1 CA2 4096/4885MAPT 2030/4885KDM4E 3577/4885

“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.