SCHEMBL393733

SCHEMBL393733

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.51
MMP12 P39900 1/20 0.51
KDM4D Q6B0I6 5/20 0.34
SCN9A Q15858 2/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RORC P51449 1/20 0.32
NPC1L1 Q9UHC9 2/20 0.32
USP30 Q70CQ3 1/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
NR1I2 O75469 2/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
OGFRL1 Q5TC84 1/20 0.32
BRD9 Q9H8M2 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
SCHEMBL2960110 0.89 PRKCA (0.63) PRKCAMMP12KDM4DSCN9AKMT2A
SCHEMBL392344 0.88 PRKCA (0.55) PRKCAMMP12SCN9ACYP3A4NR1I2
SCHEMBL394843 0.85 PRKCA (0.61) PRKCAMMP12SCN9ANPC1L1CYP3A4
SCHEMBL2274540 0.84 PRKCA (0.55) PRKCAMMP12SCN9ACYP3A4CYP2C9
SCHEMBL394439 0.84 PRKCA (0.57) PRKCAMMP12SCN9AL3MBTL1CYP3A4
SCHEMBL2274264 0.83 PRKCA (0.44) PRKCAMMP12KMT2AL3MBTL1NPC1L1
SCHEMBL393732 0.83 PRKCA (0.55) PRKCAMMP12KDM4DSCN9AKMT2A
SCHEMBL2281368 0.82 PRKCA (0.55) PRKCAMMP12SCN9AKMT2AUSP30
SCHEMBL2280473 0.82 PRKCA (0.55) PRKCAMMP12SCN9AKMT2AUSP30
SCHEMBL3086916 0.81 PRKCA (0.60) PRKCAMMP12SCN9ANPC1L1USP30

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 2333/4885KDM4D 2313/4885

“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.