SCHEMBL394843

SCHEMBL394843

Cc1cccc2c1-c1c(C3CCCCC3)c3ccc(C(=O)O)cc3n1C[C@@H](N(C)CCNC(=O)OC(C)(C)C)CO2

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.61
MMP12 P39900 1/20 0.61
NR1I2 O75469 3/20 0.32
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK3 Q15120 1/20 0.31
PDK4 Q16654 1/20 0.31
CNR2 P34972 1/20 0.31
ACACB O00763 1/20 0.31
ACACA Q13085 1/20 0.31
BRD4 O60885 1/20 0.31
NPC1L1 Q9UHC9 3/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
SCN9A Q15858 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
SCHEMBL393735 0.91 PRKCA (0.75) PRKCAMMP12NR1I2PDK1PDK2
SCHEMBL2272958 0.90 PRKCA (0.55) PRKCAMMP12NR1I2PDK1PDK2
SCHEMBL396060 0.89 PRKCA (0.68) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL2276847 0.88 PRKCA (0.53) PRKCAMMP12NR1I2PDK1PDK2
SCHEMBL2279328 0.87 PRKCA (0.61) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL393699 0.87 PRKCA (0.70) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL2279944 0.87 PRKCA (0.70) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL2278087 0.87 PRKCA (0.51) PRKCAMMP12NR1I2PDK1PDK2
SCHEMBL391578 0.86 PRKCA (0.66) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL2280938 0.86 PRKCA (0.53) PRKCAMMP12NR1I2PDK1PDK2

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
US-8101595-B2 Antiviral indoles Istituto di Ricerche di Biologia Molecolare P. Angletti SpA (IT) 2012-01-24 US disclosed
US-7989438-B2 Therapeutic compounds ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-08-02 US disclosed
US-20100076046-A1 Antiviral Indoles ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-03-25 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-20100076046-A1 Antiviral Indoles IDO1, ZC3HAV1, IFNAR1 PRKCA 4625/4885MMP12 2333/4885NR1I2 674/4885

“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.