SCHEMBL6019347

SCHEMBL6019347

CCN(C#N)C(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 3/20 0.56
CTSL P07711 2/20 0.55
ITGB2 P05107 6/20 0.52
ICAM1 P05362 6/20 0.52
ITGAL P20701 6/20 0.52
ALDH1A1 P00352 1/20 0.52
POLB P06746 1/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52
TACR1 P25103 2/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP14 P50281 1/20 0.50
CTSS P25774 1/20 0.49
CTSK P43235 1/20 0.49
CTSC P53634 2/20 0.49

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
SCHEMBL6920813 0.91 CCKBR (0.54) CCKBRCTSLITGB2ICAM1ITGAL
SCHEMBL6019785 0.90 ITGB2 (0.59) CCKBRCTSLITGB2ICAM1ITGAL
SCHEMBL6020901 0.89 CTSL (0.68) CCKBRCTSLITGB2ICAM1ITGAL
SCHEMBL6020888 0.89 CCKBR (0.58) CCKBRCTSLITGB2ICAM1ITGAL
SCHEMBL6021693 0.87 CCKBR (0.52) CCKBRCTSLITGB2ICAM1ITGAL
SCHEMBL6021347 0.86 TACR1 (0.63) CCKBRCTSLALDH1A1POLBMAPT
SCHEMBL6020622 0.85 TACR1 (0.56) CCKBRCTSLTACR1MMP9MMP8
SCHEMBL6020035 0.84 MMP9 (0.53) CCKBRCTSLMAPTTACR1MMP9
SCHEMBL6922718 0.84 ECE1 (0.58) CCKBRCTSLITGB2ICAM1ITGAL
SCHEMBL6019559 0.84 MEN1 (0.52) CCKBRCTSLTACR1MMP9MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060252813-A1 Apparatus for curing a composite laminate JERINI AG (DE) 2006-11-09 US claimed
EP-1575903-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES Jerini AG (DE) 2005-09-21 EP claimed
WO-2004065353-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES JERINI AG (DE) 2004-08-05 WO claimed
WO-2004056755-A2 COMPOUNDS FOR THE INHIBITION OF NON-PROTEOLYTIC ENZYMES JERENI AG (DE) 2004-07-08 WO claimed
EP-1433778-A1 Use of nitriles as rotamase inhibitors Jerini AG (DE) 2004-06-30 EP claimed
EP-1433779-A1 Use of nitriles as inhibitors of non-proteolytic enzymes Jerini AG (DE) 2004-06-30 EP claimed
US-20060252813-A1 Apparatus for curing a composite laminate JERINI AG (DE) 2006-11-09 US disclosed
EP-1575903-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES Jerini AG (DE) 2005-09-21 EP disclosed
WO-2004065353-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES JERINI AG (DE) 2004-08-05 WO disclosed
WO-2004056755-A2 COMPOUNDS FOR THE INHIBITION OF NON-PROTEOLYTIC ENZYMES JERENI AG (DE) 2004-07-08 WO disclosed
EP-1433778-A1 Use of nitriles as rotamase inhibitors Jerini AG (DE) 2004-06-30 EP disclosed
EP-1433779-A1 Use of nitriles as inhibitors of non-proteolytic enzymes Jerini AG (DE) 2004-06-30 EP 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-20060252813-A1 Apparatus for curing a composite laminate DHX29, HDHD5, DHRS9 CCKBR 531/4885CTSL 2274/4885ITGB2 93/4885

“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.