SCHEMBL391104

SCHEMBL391104

O=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)O)Nc1ccccc1-3

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.54
MMP12 P39900 1/20 0.54
SCN9A Q15858 3/20 0.39
NR1I2 O75469 6/20 0.38
KMO O15229 1/20 0.37
FABP4 P15090 1/20 0.34
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
GAA P10253 2/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KCNH2 Q12809 1/20 0.33
HCAR3 P49019 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
SCHEMBL14253452 0.85 PRKCA (0.54) PRKCAMMP12SCN9ANR1I2KMO
SCHEMBL14253355 0.84 PRKCA (0.53) PRKCAMMP12SCN9ANR1I2KMO
SCHEMBL804196 0.83 PRKCA (0.51) PRKCAMMP12SCN9ANR1I2KMO
SCHEMBL874916 0.82 PRKCA (0.50) PRKCAMMP12SCN9ANR1I2KMO
SCHEMBL391108 0.82 PRKCA (0.45) PRKCAMMP12SCN9ANR1I2CYP3A4
SCHEMBL14253255 0.82 PRKCA (0.48) PRKCAMMP12SCN9ANR1I2KMO
SCHEMBL14253186 0.81 PRKCA (0.49) PRKCAMMP12SCN9ANR1I2KMO
SCHEMBL394957 0.80 PRKCA (0.54) PRKCAMMP12SCN9ANR1I2KMO
SCHEMBL394639 0.80 PRKCA (0.63) PRKCAMMP12SCN9ANR1I2KMO
SCHEMBL772286 0.79 PRKCA (0.54) PRKCAMMP12SCN9ANR1I2KMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121707-B1 ANTIVIRAL INDOLES ANGELETTI P IST RICHERCHE BIO (IT) 2012-12-05 EP disclosed
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
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-20100076046-A1 Antiviral Indoles ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-03-25 US disclosed
EP-2121707-A1 ANTIVIRAL INDOLES Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2009-11-25 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-2008075103-A1 ANTIVIRAL INDOLES ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2008-06-26 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 (2 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 2333/4885SCN9A 4657/4885
US-20090048239-A1 Therapeutic compounds RRP1B, RCE1, CTSZ PRKCA 4250/4885MMP12 2067/4885SCN9A 4114/4885

“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.