SCHEMBL3434848

SCHEMBL3434848

C=CCOC(=O)C(NC(=O)OCc1ccccc1)P(=O)(OCC)OCC

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.47
KLK1 P06870 1/20 0.46
TP53 P04637 1/20 0.44
PRTN3 P24158 2/20 0.43
KYNU Q16719 1/20 0.43
MBOAT4 Q96T53 1/20 0.42
GAA P10253 1/20 0.42
ATM Q13315 1/20 0.42
CTRB1 P17538 2/20 0.42

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
SCHEMBL26854257 0.87 KYNU (0.55) ELANEKLK1TP53PRTN3KYNU
SCHEMBL1239037 0.87 KYNU (0.55) ELANEKLK1TP53PRTN3KYNU
SCHEMBL15549899 0.85 ELANE (0.54) ELANEKLK1TP53PRTN3KYNU
SCHEMBL10458760 0.80 GAA (0.48) ELANEKLK1TP53PRTN3KYNU
SCHEMBL6259612 0.78 ELANE (0.58) ELANEKLK1TP53PRTN3KYNU
SCHEMBL10414186 0.78 CTSK (0.53) ELANEATMCTRB1
SCHEMBL19410220 0.77 KYNU (0.57) ELANEKLK1TP53PRTN3KYNU
SCHEMBL14376753 0.76 F2 (0.63) ELANECTRB1
SCHEMBL19955268 0.76 GAA (0.47) ELANEKLK1GAAATM
SCHEMBL187849 0.76 KYNU (0.62) ELANEKLK1TP53PRTN3KYNU

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
EP-2257551-B1 AZATRICYCLIC ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2013-04-10 EP disclosed
US-8349828-B2 Azatricyclic antibiotic compounds ACTELION PHARMACEUTICALS LTD. (CH) 2013-01-08 US disclosed
US-20100331318-A1 AZATRICYCLIC ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD. (CH) 2010-12-30 US disclosed
EP-2257551-A2 AZATRICYCLIC ANTIBIOTIC COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2010-12-08 EP disclosed
WO-2009104147-A2 AZATRICYCLIC ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2009-08-27 WO 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-20100331318-A1 AZATRICYCLIC ANTIBIOTIC COMPOUNDS ZYX, AZI2, NAT1 ELANE 655/4885KLK1 2798/4885TP53 3353/4885

“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.