SCHEMBL394439

SCHEMBL394439

Cc1cccc2c1-c1c(C3CCCCC3)c3ccc(C(=O)O)cc3n1C[C@H](O)CO2

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.57
MMP12 P39900 1/20 0.57
SCN9A Q15858 5/20 0.36
KMO O15229 1/20 0.35
SLC22A12 Q96S37 6/20 0.34
NR1I2 O75469 2/20 0.34
S1PR1 P21453 1/20 0.32
CYP3A4 P08684 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LTB4R Q15722 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.32
EGLN1 Q9GZT9 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
SCHEMBL392344 0.89 PRKCA (0.55) PRKCAMMP12SCN9AKMOSLC22A12
SCHEMBL3789211 0.87 PRKCA (0.56) PRKCAMMP12SCN9AKMOSLC22A12
SCHEMBL3788863 0.87 PRKCA (0.56) PRKCAMMP12SCN9AKMOSLC22A12
SCHEMBL3079634 0.86 PRKCA (0.71) PRKCAMMP12SCN9AKMONR1I2
SCHEMBL3080762 0.86 PRKCA (0.71) PRKCAMMP12SCN9AKMONR1I2
SCHEMBL2273255 0.86 PRKCA (0.54) PRKCAMMP12SCN9AKMOSLC22A12
SCHEMBL393699 0.85 PRKCA (0.70) PRKCAMMP12SCN9AKMOSLC22A12
SCHEMBL2279944 0.85 PRKCA (0.70) PRKCAMMP12SCN9AKMOSLC22A12
SCHEMBL2274540 0.85 PRKCA (0.55) PRKCAMMP12SCN9ANR1I2CYP3A4
SCHEMBL393585 0.84 PRKCA (0.68) PRKCAMMP12SCN9AKMOSLC22A12

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 2333/4885SCN9A 4657/4885

“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.