SCHEMBL17126253

SCHEMBL17126253

O=C(NC(c1ccc([N+](=O)[O-])cc1)P(=O)(Oc1ccccc1)Oc1ccccc1)OCc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KLK1 P06870 2/20 0.76
TP53 P04637 1/20 0.73
PLAU P00749 8/20 0.68
KLK8 O60259 2/20 0.68
F10 P00742 2/20 0.68
PLG P00747 2/20 0.68
KLK4 Q9Y5K2 2/20 0.68
F2 P00734 1/20 0.68
PLAT P00750 1/20 0.68
KLK2 P20151 1/20 0.67
ELANE P08246 1/20 0.56

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
SCHEMBL15397885 0.87 KLK1 (0.56) KLK1TP53PLAUKLK8F10
SCHEMBL17126245 0.84 KLK1 (0.83) KLK1TP53PLAUKLK8F10
SCHEMBL17113956 0.84 KLK1 (0.51) KLK1TP53PLAUKLK8F10
SCHEMBL11760035 0.82 PLAU (0.49) KLK1TP53PLAUKLK8F10
SCHEMBL1364914 0.82 KLK1 (0.78) KLK1TP53PLAUKLK8F10
SCHEMBL18718105 0.82 KLK1 (0.50) KLK1TP53PLAUKLK8F10
SCHEMBL4297455 0.81 PLAU (1.00) KLK1TP53PLAUKLK8F10
SCHEMBL4295336 0.81 PLAU (1.00) KLK1TP53PLAUKLK8F10
Hydrochloric Acid SCHEMBL7390446 0.80 PLAU (0.98) KLK1TP53PLAUKLK8F10
SCHEMBL17126717 0.79 PLAU (0.78) KLK1TP53PLAUKLK8F10

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-10017527-B2 KLK4 inhibitors UNIVERSITEIT ANTWERPEN (BE) 2018-07-10 US disclosed
US-20170101427-A1 NOVEL KLK4 INHIBITORS UNIVERSITEIT ANTWERPEN (BE) 2017-04-13 US disclosed
US-20170101427-A1 NOVEL KLK4 INHIBITORS UNIVERSITEIT ANTWERPEN (BE) 2017-04-13 US disclosed
WO-2015144933-A1 NOVEL KLK4 INHIBITORS UNIVERSITEIT ANTWERPEN (BE) 2015-10-01 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 (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-10017527-B2 KLK4 inhibitors KLK4, KLK3, KLK1 KLK1 3/4885TP53 1931/4885PLAU 1275/4885
US-20170101427-A1 NOVEL KLK4 INHIBITORS KLK4, KLK3, KLK1 KLK1 3/4885TP53 1893/4885PLAU 1428/4885

“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.