SCHEMBL3868955

SCHEMBL3868955

CC(C)CC(NC(=O)C(=O)OCc1ccccc1)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)Nc1ccc2ccccc2c1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIRT5 Q9NXA8 1/20 0.52
NPY4R P50391 13/20 0.49
NPY1R P25929 9/20 0.49
NPY5R Q15761 8/20 0.49
NPY2R P49146 5/20 0.49
MMP3 P08254 4/20 0.47
MMP1 P03956 1/20 0.45

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
SCHEMBL3868962 1.00 SIRT5 (0.52) SIRT5NPY4RNPY1RNPY5RNPY2R
SCHEMBL1301360 0.88 SIRT5 (0.49) SIRT5MMP3MMP1
SCHEMBL1803249 0.88 SIRT5 (0.54) SIRT5
SCHEMBL1301358 0.86 SIRT5 (0.54) SIRT5MMP3MMP1
SCHEMBL19509389 0.86 NPY4R (0.45) NPY4RNPY1RNPY5RNPY2R
SCHEMBL19508905 0.86 NPY4R (0.45) NPY4RNPY1RNPY5RNPY2R
SCHEMBL8495706 0.85 CTSL (0.54) SIRT5
SCHEMBL8495526 0.85 CTSL (0.54) SIRT5
SCHEMBL1300474 0.84 SIRT5 (0.46) SIRT5NPY4RNPY1RNPY5RNPY2R
SCHEMBL9490221 0.84 SIRT5 (0.53) SIRT5MMP3

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7601512-B2 Methods for identifying inhibitors of the 20S and 26S proteasome BAYER CROPSCIENCE AG (DE) 2009-10-13 US disclosed
EP-1123412-B1 METHOD FOR MONITORING PROTEASOME INHIBITOR DRUG ACTION MILLENNIUM PHARM INC (US) 2004-10-06 EP disclosed
US-20040053312-A1 Methods for identifying inhibitors of the 20S and 26S proteasome BAYER CROPSCIENCE AG (DE) 2004-03-18 US disclosed
US-6613541-B1 Pharmacology; bioassay; proteolysis; enzyme inhibitors; use to provide guidance for selecting dose amount and dose frequency of proteasome inhibitors for treatment of cancer, inflammatory and autoimmune diseases MILLENNIUM PHARMACEUTICALS, INC. 2003-09-02 US disclosed
US-20010051654-A1 Treatment of inflammatory and autoimmune diseases ELLIOTT PETER J (US) 2001-12-13 US disclosed
EP-1123412-A1 METHOD FOR MONITORING PROTEASOME INHIBITOR DRUG ACTION Millennium Pharmaceuticals, Inc. (US) 2001-08-16 EP disclosed
WO-2000023614-A1 METHOD FOR MONITORING PROTEASOME INHIBITOR DRUG ACTION MILLENNIUM PHARMACEUTICALS, INC. (US) 2000-04-27 WO 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-20010051654-A1 Treatment of inflammatory and autoimmune diseases NFKBIA, IKBKG, PSMB1 SIRT5 2419/4885NPY4R 4353/4885NPY1R 4644/4885

“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.