SCHEMBL3960243

SCHEMBL3960243

CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)N1CCN(c2ccncc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.61
ITGA2B P08514 1/20 0.61
TGM2 P21980 16/20 0.60
TGM6 O95932 1/20 0.56
F13A1 P00488 1/20 0.56
TGM1 P22735 1/20 0.56
MAPT P10636 1/20 0.55
KLK7 P49862 1/20 0.54
KLK5 Q9Y337 1/20 0.54

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
SCHEMBL3957692 0.97 TGM2 (0.63) ITGB3ITGA2BTGM2TGM6F13A1
SCHEMBL3968073 0.90 CALCRL (0.59) ITGB3ITGA2BTGM2
SCHEMBL3956806 0.86 TGM2 (0.53) ITGB3ITGA2BTGM2TGM6F13A1
SCHEMBL2577375 0.86 ITGB3 (0.65) ITGB3ITGA2BTGM2TGM6F13A1
SCHEMBL2577379 0.86 ITGB3 (0.65) ITGB3ITGA2BTGM2TGM6F13A1
SCHEMBL5712251 0.84 ITGB3 (0.70) ITGB3ITGA2BTGM2TGM6F13A1
SCHEMBL19707914 0.83 ITGB3 (0.62) ITGB3ITGA2BTGM2TGM6F13A1
SCHEMBL21009799 0.83 ITGB3 (0.62) ITGB3ITGA2BTGM2TGM6F13A1
SCHEMBL3958032 0.83 DPP8 (0.67) ITGB3ITGA2BTGM2TGM6F13A1
SCHEMBL3961748 0.83 TGM2 (0.61) ITGB3ITGA2BTGM2TGM6F13A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 US disclosed
EP-1440976-B1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production BOEHRINGER INGELHEIM PHARMA (DE) 2008-07-23 EP disclosed
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2004-10-28 US disclosed
EP-1440976-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-07-28 EP disclosed
EP-0927192-B1 MODIFIED AMINOACIDS, PHARMACEUTICALS CONTAINING THESE COMPOUNDS AND METHOD FOR THEIR PRODUCTION BOEHRINGER INGELHEIM PHARMA (DE) 2004-05-12 EP disclosed
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2003-04-10 US disclosed
US-6344449-B1 HEADACHE AND MORPHINE DEPENDENCE DR. KARL THOMAE GMBH (DE) 2002-02-05 US disclosed
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2001-11-01 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 (4 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-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, CHRM1, SRMS ITGB3 2247/4885ITGA2B 2715/4885TGM2 2173/4885
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 ITGB3 1868/4885ITGA2B 2315/4885TGM2 1342/4885
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production SLC1A5, NEFM, SRMS ITGB3 1400/4885ITGA2B 1858/4885TGM2 1283/4885
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 ITGB3 1868/4885ITGA2B 2315/4885TGM2 1342/4885

“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.