SCHEMBL1363820

SCHEMBL1363820

N=C(N)c1ccc(C(N)P(=O)(O)Oc2ccccc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.49
PLG P00747 3/20 0.49
PLAU P00749 3/20 0.49
PLAT P00750 3/20 0.49
F10 P00742 3/20 0.49
KLK8 O60259 2/20 0.49
KLK4 Q9Y5K2 2/20 0.49
ANPEP P15144 2/20 0.48
LAP3 P28838 2/20 0.48
SRC P12931 1/20 0.42
F12 P00748 1/20 0.42
F7 P08709 1/20 0.42
F3 P13726 1/20 0.42
PKM P14618 1/20 0.42
KLK1 P06870 1/20 0.42
KLK2 P20151 1/20 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
SCHEMBL1363819 0.87 F2 (0.56) F2PLGPLAUPLATF10
Hydrochloric Acid SCHEMBL7387182 0.86 F2 (0.55) F2PLGPLAUPLATF10
Hydrochloric Acid SCHEMBL7422244 0.86 F2 (0.55) F2PLGPLAUPLATF10
SCHEMBL17125809 0.82 ANPEP (0.45) F2PLGPLAUPLATF10
SCHEMBL1443965 0.76 CPN1 (0.45) F2PLAUF10F12F7
Hydrochloric Acid SCHEMBL7390431 0.75 PRSS1 (0.45) F2PLAUF10F12F7
Hydrochloric Acid SCHEMBL7386657 0.75 PRSS1 (0.45) F2PLAUF10F12F7
SCHEMBL17008884 0.74 PARP10 (0.51) F2PLGPLAUPLATF10
SCHEMBL1364942 0.73 PLAU (0.83) F2PLGPLAUPLATF10
SCHEMBL6842194 0.73 PLAU (0.72) F2PLGPLAUPLATF10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110287031-A1 Covalently reactive transition state analogs and methods of use thereof PAUL, SUDHIR, DR. 2011-11-24 US disclosed
US-7524663-B2 Covalently reactive transition state analogs and methods of use thereof PAUL, SUDHIR, DR. 2009-04-28 US disclosed
EP-1373307-A4 COVALENTLY REACTIVE TRANSITION STATE ANALOGS AND METHODS OF USE THEREOF UNIV TEXAS (US) 2006-01-25 EP disclosed
US-20050142649-A1 Covalently reactive transition state analogs and methods of use thereof PAUL, SUDHIR, DR. 2005-06-30 US disclosed
US-6855804-B2 Covalently reactive transition state analogs and methods of use thereof BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2005-02-15 US disclosed
EP-1373307-A2 COVALENTLY REACTIVE TRANSITION STATE ANALOGS AND METHODS OF USE THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2004-01-02 EP disclosed
US-20030078203-A1 Covalently reactive transition state analogs and methods of use thereof PAUL, SUDHIR, DR. 2003-04-24 US disclosed
WO-2002079223-A9 COVALENTLY REACTIVE TRANSITION STATE ANALOGS AND METHODS OF USE THEREOF UNIV TEXAS (US) 2003-01-09 WO disclosed
WO-2002079223-A2 COVALENTLY REACTIVE TRANSITION STATE ANALOGS AND METHODS OF USE THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2002-10-10 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 (3 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-20050142649-A1 Covalently reactive transition state analogs and methods of use thereof SPR, FCGR3B, CD2 F2 1565/4885PLG 470/4885PLAU 1537/4885
US-20110287031-A1 Covalently reactive transition state analogs and methods of use thereof SPR, FCGR3B, CD2 F2 1565/4885PLG 470/4885PLAU 1537/4885
US-20030078203-A1 Covalently reactive transition state analogs and methods of use thereof SPR, FCGR3B, CD2 F2 1565/4885PLG 470/4885PLAU 1537/4885

“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.