SCHEMBL2593255

SCHEMBL2593255

CCCC[Sn](CCCC)(CCCC)c1cc(-c2ccccc2)nn1C1CCCCO1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.35
CNR2 P34972 4/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
SOAT2 O75908 6/20 0.33
SOAT1 P35610 6/20 0.33
ATR Q13535 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
FABP3 P05413 1/20 0.32
FABP4 P15090 1/20 0.32

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
SCHEMBL2590096 0.83 GAA (0.37) RXRARXRBRXRGATRCYP4F2
SCHEMBL2592535 0.79 ATR (0.35) ATRCYP4F2CYP4A11
SCHEMBL18448466 0.78 CYP4F2 (0.41) RXRARXRBRXRGATRCYP4F2
SCHEMBL21187503 0.78 CYP4F2 (0.43) CNR1CNR2RXRARXRBRXRG
SCHEMBL21185042 0.76 RET (0.39) CNR1CNR2RXRARXRBRXRG
SCHEMBL31469242 0.75 DRD2 (0.32) CNR1CNR2ATRADORA3
SCHEMBL27037194 0.75 CNR1 (0.40) CNR1CNR2RXRARXRBRXRG
SCHEMBL3433705 0.73 CNR1 (0.38) CNR1CNR2RXRARXRBRXRG
SCHEMBL3044522 0.72 CNR1 (0.40) CNR1CNR2RXRARXRBRXRG
SCHEMBL3623334 0.71 RXRA (0.40) CNR1CNR2RXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2563358-A1 INHIBITORS OF PHOSPHOINOSITIDE DEPENDENT KINASE 1 (PDK1) Merck Sharp & Dohme Corp. (US) 2013-03-06 EP disclosed
US-20130053382-A1 Inhibitors of Phosphoinositide Dependent Kinase 1 (PDK1) PALIWAL SUNIL (US) 2013-02-28 US disclosed
WO-2011137219-A1 INHIBITORS OF PHOSPHOINOSITIDE DEPENDENT KINASE 1 (PDK1) SCHERING CORPORATION (US) 2011-11-03 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 (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-20130053382-A1 Inhibitors of Phosphoinositide Dependent Kinase 1 (PDK1) PDK1, PDPK1, PDK3 CNR1 3841/4885CNR2 4369/4885RXRA 3709/4885

“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.