SCHEMBL3586177

SCHEMBL3586177

CO[C@@H]1C[C@H](C(=O)Nc2cccc3ccc(C)nc23)CC[C@H]1NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.44
MAPT P10636 4/20 0.41
THRB P10828 1/20 0.39
GAA P10253 1/20 0.39
TP53 P04637 5/20 0.38
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.37
ALOX12 P18054 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 2/20 0.36
SMN1; SMN2 Q16637 1/20 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
SCHEMBL3586179 1.00 PLAU (0.44) PLAUMAPTTHRBGAATP53
SCHEMBL3571180 0.84 PLAU (0.53) PLAUMAPTTHRBGAATP53
SCHEMBL3577434 0.80 PLAU (0.44) PLAUALDH1A1
SCHEMBL3577439 0.80 PLAU (0.44) PLAUALDH1A1
SCHEMBL3581119 0.77 PLAU (0.43) PLAUMAPT
SCHEMBL3581122 0.77 PLAU (0.43) PLAUMAPT
SCHEMBL7748081 0.76 MAPT (0.57) MAPTTHRBGAATP53ALDH1A1
SCHEMBL30471577 0.76 MAPT (0.57) MAPTTHRBGAATP53ALDH1A1
SCHEMBL4484599 0.73 KCNH2 (0.61) PLAUMAPTTHRBGAATP53
SCHEMBL4484596 0.73 KCNH2 (0.61) PLAUMAPTTHRBGAATP53

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 3372/4885MAPT 4179/4885THRB 1755/4885
US-20100081650-A1 Antimicrobial Compounds ELANE, NISCH, PIGS PLAU 3798/4885MAPT 4602/4885THRB 3045/4885

“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.