SCHEMBL393732

SCHEMBL393732

COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)C[C@@H](NC(=O)OC(C)(C)C)COc1ccccc1-3

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.55
MMP12 P39900 1/20 0.55
KDM4D Q6B0I6 3/20 0.40
NR1I2 O75469 4/20 0.37
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
SCN9A Q15858 3/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
OGFRL1 Q5TC84 1/20 0.34

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
SCHEMBL2960110 0.94 PRKCA (0.63) PRKCAMMP12KDM4DNR1I2CYP3A4
SCHEMBL392343 0.88 PRKCA (0.59) PRKCAMMP12NR1I2KDM4EALDH1A1
SCHEMBL13940288 0.88 PRKCA (0.44) PRKCAMMP12KDM4DNR1I2KDM4E
SCHEMBL394438 0.86 PRKCA (0.60) PRKCAMMP12NR1I2KDM4EALDH1A1
SCHEMBL2275975 0.86 PRKCA (0.52) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL2275971 0.86 PRKCA (0.52) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL2279922 0.86 PRKCA (0.54) PRKCAMMP12NR1I2KDM4EALDH1A1
SCHEMBL394842 0.85 PRKCA (0.65) PRKCAMMP12KDM4DNR1I2CYP3A4
SCHEMBL395908 0.85 PRKCA (0.59) PRKCAMMP12NR1I2KDM4EALDH1A1
SCHEMBL3086916 0.85 PRKCA (0.60) 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 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 2333/4885KDM4D 2313/4885

“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.