SCHEMBL2993056

SCHEMBL2993056

CN(CCN(C)C(=O)Cn1c(-c2ccccc2)c(C2CCCCC2)c2ccc(C(=O)N(Cc3ccccc3)S(=O)(=O)CCCCl)cc21)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.37
MMP12 P39900 1/20 0.37
SCN9A Q15858 5/20 0.33
NR1I2 O75469 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TSPO P30536 1/20 0.33
MAPK1 P28482 1/20 0.31
OXTR P30559 1/20 0.31
AVPR1A P37288 1/20 0.31
CXCR3 P49682 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
Hydrochloric Acid SCHEMBL394360 0.93 PRKCA (0.35) PRKCAMMP12SCN9ANR1I2CYP3A4
SCHEMBL394673 0.92 PRKCA (0.34) PRKCAMMP12SCN9ANR1I2CYP3A4
SCHEMBL394672 0.92 PRKCA (0.34) PRKCAMMP12SCN9ANR1I2CYP3A4
SCHEMBL2993061 0.92 PRKCA (0.35) PRKCAMMP12SCN9ANR1I2CYP3A4
SCHEMBL394671 0.89 PRKCA (0.35) PRKCAMMP12SCN9ANR1I2CYP3A4
SCHEMBL5402256 0.79 PRKCA (0.47) PRKCAMMP12TSPOMAPK1CXCR3
SCHEMBL393462 0.73 PRKCA (0.45) PRKCAMMP12SCN9ANR1I2CYP3A4
SCHEMBL2907228 0.73 PRKCA (0.50) PRKCAMMP12SCN9ANR1I2
SCHEMBL14448756 0.73 PRKCA (0.43) PRKCAMMP12SCN9ATSPO
Hydrochloric Acid SCHEMBL27768721 0.72 PRKCA (0.40) PRKCAMMP12SCN9ANR1I2CYP3A4

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
EP-2121707-B1 ANTIVIRAL INDOLES ANGELETTI P IST RICHERCHE BIO (IT) 2012-12-05 EP disclosed
US-7781422-B2 Antiviral indoles ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-08-24 US 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
WO-2008075103-A1 ANTIVIRAL INDOLES ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2008-06-26 WO disclosed
US-20080153895-A1 Antiviral indoles ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2008-06-26 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 (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-20080153895-A1 Antiviral indoles IDO1, ZC3HAV1, YBX1 PRKCA 4589/4885MMP12 2570/4885SCN9A 4630/4885

“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.