SCHEMBL3581119

SCHEMBL3581119

CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)Nc2cccc3ccc(C#N)nc23)C[C@H]1O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.43
JAK1 P23458 1/20 0.34
KDM1A O60341 2/20 0.33
SRC P12931 1/20 0.33
SOS2 Q07890 1/20 0.33
WNT3 P56703 1/20 0.33
MAPT P10636 1/20 0.33
MAOB P27338 1/20 0.32
ABL1 P00519 1/20 0.32
RET P07949 5/20 0.32
BRAF P15056 1/20 0.32
PARP1 P09874 1/20 0.32
EPHX2 P34913 1/20 0.32

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
SCHEMBL3581122 1.00 PLAU (0.43) PLAUJAK1KDM1ASRCSOS2
SCHEMBL3577439 0.86 PLAU (0.44) PLAUJAK1KDM1AWNT3MAOB
SCHEMBL3577434 0.86 PLAU (0.44) PLAUJAK1KDM1AWNT3MAOB
SCHEMBL5506640 0.80 PLAU (0.40) PLAUSRC
SCHEMBL3586177 0.77 PLAU (0.44) PLAUMAPT
SCHEMBL3586179 0.77 PLAU (0.44) PLAUMAPT
SCHEMBL3576655 0.74 MEN1 (0.34) PLAUJAK1SRCSOS2MAPT
SCHEMBL3571180 0.73 PLAU (0.53) PLAUJAK1KDM1AMAPTMAOB
SCHEMBL5636175 0.72 KCNH2 (0.48) BRAF
SCHEMBL5260294 0.72 KCNH2 (0.48) BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100081650-A1 Antimicrobial Compounds AXTEN JEFFREY MICHAEL 2010-04-01 US disclosed
US-7622481-B2 Antibacterial compounds GLAXO GROUP LIMITED (GB) 2009-11-24 US disclosed
EP-1537123-B1 AMINO-SUBSTITUTED CYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS GLAXO GROUP LTD (GB) 2009-04-29 EP disclosed
US-20060189604-A1 Compounds GLAXO GROUP LIMITED (GB) 2006-08-24 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 (2 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-20060189604-A1 Compounds ELANE, PIGS, SDHA PLAU 3372/4885JAK1 4758/4885KDM1A 4262/4885
US-20100081650-A1 Antimicrobial Compounds ELANE, NISCH, PIGS PLAU 3798/4885JAK1 4767/4885KDM1A 4534/4885

“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.