SCHEMBL2960110

SCHEMBL2960110

CC(C)(C)OC(=O)N[C@H]1COc2ccccc2-c2c(C3CCCCC3)c3ccc(C(=O)O)cc3n2C1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.63
MMP12 P39900 1/20 0.63
NR1I2 O75469 2/20 0.37
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4D Q6B0I6 3/20 0.36
SCN9A Q15858 2/20 0.35
NPC1L1 Q9UHC9 2/20 0.35
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
OGFRL1 Q5TC84 1/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
PPARG P37231 2/20 0.34
KDM1A O60341 1/20 0.34
MAOB P27338 1/20 0.34
RORC P51449 1/20 0.34

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
SCHEMBL393732 0.94 PRKCA (0.55) PRKCAMMP12NR1I2KMT2AL3MBTL1
SCHEMBL3086916 0.91 PRKCA (0.60) PRKCAMMP12NR1I2SCN9ANPC1L1
SCHEMBL393733 0.89 PRKCA (0.51) PRKCAMMP12NR1I2KMT2AL3MBTL1
SCHEMBL3942843 0.88 PRKCA (0.51) PRKCAMMP12NR1I2KMT2AL3MBTL1
SCHEMBL3088711 0.88 PRKCA (0.70) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL2957655 0.88 PRKCA (0.70) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL3630941 0.85 PRKCA (0.49) PRKCAMMP12NR1I2KMT2AL3MBTL1
SCHEMBL3814277 0.85 PRKCA (0.48) PRKCAMMP12NR1I2KMT2AL3MBTL1
SCHEMBL393735 0.85 PRKCA (0.75) PRKCAMMP12NR1I2KMT2ASCN9A
SCHEMBL4206421 0.84 PRKCA (0.47) PRKCAMMP12NR1I2KMT2AL3MBTL1

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 5 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-20100076046-A1 Antiviral Indoles ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-03-25 US disclosed
US-20090048239-A1 Therapeutic compounds MSD ITALIA S.R.L. (IT) 2009-02-19 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 (3 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 2333/4885NR1I2 674/4885
US-20090048239-A1 Therapeutic compounds RRP1B, RCE1, CTSZ PRKCA 4250/4885MMP12 2067/4885NR1I2 381/4885
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.