SCHEMBL2279169

SCHEMBL2279169

COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(CCC(=O)O)COc1cc(OC)ccc1-3

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.48
MMP12 P39900 1/20 0.48
KCNH2 Q12809 7/20 0.44
NR1I2 O75469 8/20 0.43
CYP3A4 P08684 3/20 0.42
SCN5A Q14524 2/20 0.42
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SCN9A Q15858 2/20 0.35
ALDH1A1 P00352 1/20 0.34
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PTGDR2 Q9Y5Y4 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
SCHEMBL2279970 0.91 PRKCA (0.59) PRKCAMMP12KCNH2NR1I2CYP3A4
SCHEMBL2276379 0.91 PRKCA (0.49) PRKCAMMP12KCNH2NR1I2CYP3A4
SCHEMBL2274891 0.85 PRKCA (0.44) PRKCAMMP12KCNH2NR1I2CYP3A4
SCHEMBL394862 0.82 PRKCA (0.58) PRKCAMMP12KCNH2NR1I2CYP3A4
SCHEMBL394863 0.82 PRKCA (0.58) PRKCAMMP12KCNH2NR1I2CYP3A4
SCHEMBL2273252 0.81 PRKCA (0.57) PRKCAMMP12KCNH2NR1I2CYP3A4
SCHEMBL14110621 0.81 PRKCA (0.57) PRKCAMMP12KCNH2NR1I2CYP3A4
SCHEMBL2279922 0.81 PRKCA (0.54) PRKCAMMP12KCNH2NR1I2CYP3A4
SCHEMBL393359 0.81 PRKCA (0.60) PRKCAMMP12KCNH2NR1I2CYP3A4
SCHEMBL393360 0.81 PRKCA (0.60) PRKCAMMP12KCNH2NR1I2CYP3A4

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
US-7989438-B2 Therapeutic compounds ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-08-02 US 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
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
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 2067/4885KCNH2 2797/4885

“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.