SCHEMBL2954989

SCHEMBL2954989

CN(CCNC(=O)O)[C@H]1COc2ccccc2-c2c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)CCCCl)cc3n2C1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.63
MMP12 P39900 1/20 0.63
NR1I2 O75469 8/20 0.42
CYP3A4 P08684 3/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SCN9A Q15858 6/20 0.38
KCNH2 Q12809 5/20 0.37
SCN5A Q14524 2/20 0.37

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
SCHEMBL391106 0.92 PRKCA (0.63) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL395508 0.90 PRKCA (0.62) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL391532 0.86 PRKCA (0.58) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL392726 0.86 PRKCA (0.64) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL4210080 0.84 PRKCA (0.61) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL394042 0.83 PRKCA (0.54) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL2274295 0.82 PRKCA (0.88) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL2273411 0.81 PRKCA (0.63) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL2279940 0.80 PRKCA (0.74) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL14110751 0.80 PRKCA (0.84) 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
EP-2121707-B1 ANTIVIRAL INDOLES ANGELETTI P IST RICHERCHE BIO (IT) 2012-12-05 EP disclosed
US-7767660-B2 Antiviral indoles ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-08-03 US disclosed
US-20080214522-A1 Antiviral indoles ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2008-09-04 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-20080214522-A1 Antiviral indoles IDO1, ZC3HAV1, YBX1 PRKCA 4589/4885MMP12 2570/4885NR1I2 653/4885

“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.