SCHEMBL9970972

SCHEMBL9970972

CC(C)C(NC(=O)OCc1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 1.00
PRTN3 P24158 2/20 0.76
KLK1 P06870 4/20 0.63
TP53 P04637 1/20 0.61
PLAU P00749 7/20 0.60
F2 P00734 6/20 0.60
PLAT P00750 6/20 0.60
PLG P00747 6/20 0.56
KLK8 O60259 5/20 0.56
KLK4 Q9Y5K2 5/20 0.56
F10 P00742 4/20 0.56
KLK2 P20151 3/20 0.55

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
SCHEMBL5689257 0.87 ELANE (0.77) ELANEPRTN3KLK1TP53PLAU
SCHEMBL2353877 0.84 ELANE (0.72) ELANEPRTN3
SCHEMBL2353879 0.84 ELANE (0.72) ELANEPRTN3
SCHEMBL5881673 0.82 ELANE (0.70) ELANEPRTN3KLK1TP53PLAU
SCHEMBL7403534 0.81 F2 (0.86) ELANEPRTN3KLK1TP53PLAU
SCHEMBL5076528 0.81 ELANE (0.67) ELANEPRTN3
SCHEMBL9970954 0.80 PRTN3 (0.79) ELANEPRTN3KLK1TP53PLAU
SCHEMBL1436662 0.80 ELANE (0.66) ELANEPRTN3KLK1TP53PLAU
SCHEMBL6130869 0.78 ELANE (0.63) ELANEPRTN3
SCHEMBL9152554 0.77 ELANE (0.62) ELANEPRTN3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2470672-B1 COMPOUNDS FOR DETECTING PROTEASES UNIV BELFAST (GB) 2016-10-12 EP disclosed
US-9340820-B2 Compounds and methods for protease detection QUEEN'S UNIVERSITY OF BELFAST (GB) 2016-05-17 US disclosed
US-20120156691-A1 COMPOUND QUEEN'S UNIVERSITY OF BELFAST 2012-06-21 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-20120156691-A1 COMPOUND DNPEP, TMPRSS15, PEPD ELANE 51/4885PRTN3 140/4885KLK1 469/4885

“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.