SCHEMBL4438547

SCHEMBL4438547

C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)C(F)C=O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.50
CASP1 P29466 7/20 0.47
PSMB5 P28074 2/20 0.45
PSMB8 P28062 1/20 0.45
PSMB9 P28065 1/20 0.45
LGMN Q99538 1/20 0.45
PSMB1 P20618 1/20 0.45
PSMB2 P49721 1/20 0.45
CASP3 P42574 1/20 0.45

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
SCHEMBL1264575 0.93 CASP3 (0.55) CTSKCASP1CASP3
SCHEMBL29453232 0.84 MME (0.58) CTSKCASP1PSMB5PSMB8PSMB9
SCHEMBL7155003 0.83 MME (0.59) CTSKCASP1PSMB5PSMB8PSMB9
SCHEMBL4430771 0.83 MME (0.59) CTSKCASP1PSMB5PSMB8PSMB9
SCHEMBL14433707 0.83 MME (0.59) CTSKCASP1PSMB5PSMB8PSMB9
SCHEMBL29825423 0.83 CASP3 (0.60) CTSKCASP1CASP3
SCHEMBL10868042 0.82 CAPN1 (0.58) CTSKCASP1
SCHEMBL17841948 0.82 CTSK (0.56) CTSKCASP1PSMB5PSMB8PSMB9
SCHEMBL28840715 0.82 CASP3 (0.55) CTSKCASP1CASP3
SCHEMBL811863 0.82 CASP3 (0.55) CTSKCASP1CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325168-A1 HOMO-DOUBLY LABELED COMPOSITIONS FOR THE DETECTION OF ENZYME ACTIVITY IN BIOLOGICAL SAMPLES ONCOIMMUNIN, INC. (US) 2009-12-31 US disclosed
EP-0988394-B1 COMPOSITIONS FOR THE DETECTION OF ENZYME ACTIVITY IN BIOLOGICAL SAMPLES AND METHODS OF USE THEREOF ONCOIMMUNIN INC (US) 2009-12-30 EP disclosed
US-7541143-B2 Homo-doubly labeled compositions for the detection of enzyme activity in biological samples ONCOIMMUNIN, INC. (US) 2009-06-02 US disclosed
EP-1214445-A4 COMPOSITIONS FOR THE DETECTION OF ENZYME ACTIVITY IN BIOLOGICAL SAMPLES AND METHODS OF USE THEREOF ONCOIMMUNIN INC (US) 2007-01-24 EP disclosed
US-6936687-B1 Compositions for the detection of enzyme activity in biological samples and methods of use thereof ONCO IMMUNIN, INC. (US) 2005-08-30 US disclosed
US-20050158766-A1 Homo-doubly labeled compositions for the detection of enzyme activity in biological samples ONCOLMMUNIN, INC. 2005-07-21 US disclosed
US-6893868-B2 Homo-doubly labeled compositions for the detection of enzyme activity in biological samples ONCO IMMUNIN, INC. (US) 2005-05-17 US disclosed
US-20030207264-A1 Homo-doubly labeled compositions for the detection of enzyme activity in biological samples ONCOLMMUNIN, INC. 2003-11-06 US disclosed
EP-1356084-A2 HOMO-DOUBLY LABELED COMPOSITIONS FOR THE DETECTION OF ENZYME ACTIVITY IN BIOLOGICAL SAMPLES ONCOIMMUNIN, INC. (US) 2003-10-29 EP disclosed
EP-0988394-A4 COMPOSITIONS FOR THE DETECTION OF ENZYME ACTIVITY IN BIOLOGICAL SAMPLES AND METHODS OF USE THEREOF ONCOIMMUNIN INC (US) 2003-04-23 EP disclosed
WO-2002061038-A9 HOMO-DOUBLY LABELED COMPOSITIONS FOR THE DETECTION OF ENZYME ACTIVITY IN BIOLOGICAL SAMPLES ONCOIMMUNIN INC (US) 2002-11-28 WO disclosed
WO-2002061038-A2 HOMO-DOUBLY LABELED COMPOSITIONS FOR THE DETECTION OF ENZYME ACTIVITY IN BIOLOGICAL SAMPLES ONCOIMMUNIN, INC. (US) 2002-08-08 WO disclosed
EP-1214445-A1 COMPOSITIONS FOR THE DETECTION OF ENZYME ACTIVITY IN BIOLOGICAL SAMPLES AND METHODS OF USE THEREOF ONCOIMMUNIN, INC. (US) 2002-06-19 EP disclosed
WO-2001018238-A1 COMPOSITIONS FOR THE DETECTION OF ENZYME ACTIVITY IN BIOLOGICAL SAMPLES AND METHODS OF USE THEREOF ONCOIMMUNIN, INC. (US) 2001-03-15 WO disclosed
EP-0988394-A1 COMPOSITIONS FOR THE DETECTION OF ENZYME ACTIVITY IN BIOLOGICAL SAMPLES AND METHODS OF USE THEREOF ONCOIMMUNIN, INC. (US) 2000-03-29 EP disclosed
US-6037137-A FLUORESCENT COMPOUND FOR SCREENING CLEAVING ACTIVITY AND STRUCTURAL CHANGES OF ENZYMATIC PROTEINS ONCOIMMUNIN, INC. (US) 2000-03-14 US disclosed
WO-1998037226-A1 COMPOSITIONS FOR THE DETECTION OF ENZYME ACTIVITY IN BIOLOGICAL SAMPLES AND METHODS OF USE THEREOF ONCOIMMUNIN, INC. (US) 1998-08-27 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 (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-20030207264-A1 Homo-doubly labeled compositions for the detection of enzyme activity in biological samples DNTT, HMBS, WRN CTSK 534/4885CASP1 1731/4885PSMB5 2102/4885
US-20050158766-A1 Homo-doubly labeled compositions for the detection of enzyme activity in biological samples DNTT, WRN, HMBS CTSK 519/4885CASP1 1504/4885PSMB5 2211/4885

“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.