SCHEMBL3684086

SCHEMBL3684086

CN(CCNC(=O)OC(C)(C)C)[C@H]1COc2c(O)cccc2-c2c(C3CCCCC3)c3ccc(C(=O)O)cc3n2C1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.60
MMP12 P39900 1/20 0.60
NR1I2 O75469 7/20 0.34
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 1/20 0.34
CYP3A4 P08684 3/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
CNR2 P34972 1/20 0.32
KCNH2 Q12809 4/20 0.31
SCN5A Q14524 2/20 0.31
ACACB O00763 1/20 0.31
ACACA Q13085 1/20 0.31
NPC1L1 Q9UHC9 3/20 0.31
P2RY14 Q15391 1/20 0.31
SCN9A Q15858 1/20 0.31

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
SCHEMBL2277222 0.92 PRKCA (0.59) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL2272958 0.91 PRKCA (0.55) PRKCAMMP12NR1I2PDK1PDK2
SCHEMBL393735 0.90 PRKCA (0.75) PRKCAMMP12NR1I2PDK1PDK2
SCHEMBL2280880 0.90 PRKCA (0.56) PRKCAMMP12NR1I2PDK1PDK2
SCHEMBL4213697 0.89 PRKCA (0.57) PRKCAMMP12NR1I2PDK1PDK2
SCHEMBL2278012 0.88 PRKCA (0.54) PRKCAMMP12NR1I2CNR2ACACB
SCHEMBL2276844 0.87 PRKCA (0.52) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL394843 0.86 PRKCA (0.61) PRKCAMMP12NR1I2PDK1PDK2
SCHEMBL2276847 0.85 PRKCA (0.53) PRKCAMMP12NR1I2PDK1PDK2
SCHEMBL2280934 0.84 PRKCA (0.51) PRKCAMMP12NR1I2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2178885-A1 MACROCYCLIC INDOLE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C INFECTIONS Istituto Di Ricerche Di Biologia Molecolare P. Angeletti S.P.A. (IT) 2010-04-28 EP disclosed
EP-2178886-A1 MACROCYCLIC INDOLE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C INFECTIONS Istituto Di Ricerche Di Biologia Molecolare P. Angeletti S.P.A. (IT) 2010-04-28 EP disclosed
US-20090048239-A1 Therapeutic compounds MSD ITALIA S.R.L. (IT) 2009-02-19 US disclosed
WO-2009010783-A1 MACROCYCLIC INDOLE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C INFECTIONS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-01-22 WO disclosed
WO-2009010785-A1 MACROCYCLIC INDOLE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C INFECTIONS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-01-22 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-20090048239-A1 Therapeutic compounds RRP1B, RCE1, CTSZ PRKCA 4250/4885MMP12 2067/4885NR1I2 381/4885

“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.