SCHEMBL3577434

SCHEMBL3577434

COc1ccc2cccc(NC(=O)[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C3)c2n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.44
MTNR1A P48039 6/20 0.39
MTNR1B P49286 6/20 0.39
JAK1 P23458 2/20 0.34
ALDH1A1 P00352 2/20 0.34
USP2 O75604 1/20 0.34
WNT3 P56703 1/20 0.34
BRAF P15056 1/20 0.34
KCNH2 Q12809 1/20 0.34
KDM1A O60341 1/20 0.33
MAOB P27338 1/20 0.33
TNKS O95271 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
HTT P42858 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL3577439 1.00 PLAU (0.44) PLAUMTNR1AMTNR1BJAK1ALDH1A1
SCHEMBL3581122 0.86 PLAU (0.43) PLAUJAK1WNT3BRAFKDM1A
SCHEMBL3581119 0.86 PLAU (0.43) PLAUJAK1WNT3BRAFKDM1A
SCHEMBL5260294 0.86 KCNH2 (0.48) BRAFKCNH2
SCHEMBL5636175 0.86 KCNH2 (0.48) BRAFKCNH2
SCHEMBL3586177 0.80 PLAU (0.44) PLAUALDH1A1
SCHEMBL3586179 0.80 PLAU (0.44) PLAUALDH1A1
SCHEMBL5432642 0.79 PLAU (0.41) PLAUMTNR1AMTNR1B
SCHEMBL3577402 0.77 KCNH2 (0.47) BRAFKCNH2
SCHEMBL3571180 0.74 PLAU (0.53) PLAUJAK1ALDH1A1KDM1AMAOB

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 3372/4885MTNR1A 4164/4885MTNR1B 4015/4885
US-20100081650-A1 Antimicrobial Compounds ELANE, NISCH, PIGS PLAU 3798/4885MTNR1A 4104/4885MTNR1B 4079/4885

“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.