SCHEMBL3583539

SCHEMBL3583539

CC(C)C[C@@H](NCC(=O)N(C)c1ccc(NC(=O)C2C[C@@H](O)CN2C(=O)Nc2ccc(Cl)cc2)cc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
KLKB1 P03952 4/20 0.47
F10 P00742 3/20 0.46
CCR1 P32246 2/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PSMB11 A5LHX3 4/20 0.35
PSMA7 O14818 4/20 0.35
PSMB1 P20618 4/20 0.35
PSMA1 P25786 4/20 0.35
PSMA2 P25787 4/20 0.35
PSMA3 P25788 4/20 0.35
PSMA4 P25789 4/20 0.35
PSMB8 P28062 4/20 0.35
PSMB9 P28065 4/20 0.35
PSMA5 P28066 4/20 0.35
PSMB4 P28070 4/20 0.35
PSMB6 P28072 4/20 0.35
PSMB5 P28074 4/20 0.35
PSMB10 P40306 4/20 0.35

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
SCHEMBL8284385 0.93 POLB (0.56) POLBKLKB1F10CCR1MEN1
SCHEMBL1384512 0.93 POLB (0.56) POLBKLKB1F10CCR1MEN1
SCHEMBL13316240 0.91 POLB (0.51) POLBKLKB1F10CCR1MEN1
SCHEMBL3583002 0.89 POLB (0.55) POLBKLKB1F10CCR1MEN1
SCHEMBL3581948 0.84 POLB (0.53) POLBKLKB1F10CCR1MEN1
SCHEMBL3583546 0.84 POLB (0.52) POLBKLKB1F10MEN1KMT2A
SCHEMBL3583537 0.84 POLB (0.52) POLBKLKB1F10MEN1KMT2A
SCHEMBL3588453 0.83 POLB (0.52) POLBKLKB1F10CCR1MEN1
SCHEMBL3591636 0.83 POLB (0.55) POLBKLKB1F10CCR1MEN1
SCHEMBL3580417 0.83 POLB (0.55) POLBKLKB1F10CCR1MEN1

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
US-7732481-B2 Prolinylarylacetamides MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-06-08 US claimed
EP-1697318-B1 PROLINYLARYLACETAMIDES MERCK PATENT GMBH (DE) 2008-08-27 EP claimed
US-20070185189-A1 Prolinylarylacetamides MERCK PATENT GMBH (DE) 2007-08-09 US claimed
US-7732481-B2 Prolinylarylacetamides MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-06-08 US disclosed
US-20070185189-A1 Prolinylarylacetamides MERCK PATENT GMBH (DE) 2007-08-09 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-20070185189-A1 Prolinylarylacetamides F12, F11, F2 POLB 3435/4885KLKB1 1086/4885F10 5/4885

“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.