SCHEMBL6020959

SCHEMBL6020959

CCN(C#N)C(=O)C(Cc1c[nH]c2ccccc12)NC(=O)Nc1ccc(SC(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 4/20 0.54
FPR2 P25090 6/20 0.51
FPR1 P21462 3/20 0.45
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP14 P50281 1/20 0.44
CTSL P07711 2/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
CTSC P53634 1/20 0.43
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 1/20 0.42
TACR1 P25103 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
SCHEMBL6019748 0.89 CCKBR (0.56) CCKBRFPR2FPR1MMP9MMP8
SCHEMBL6020264 0.87 CCKBR (0.59) CCKBRFPR2FPR1MMP9MMP8
SCHEMBL6021811 0.87 LMNA (0.56) CCKBRFPR2FPR1MMP9CTSL
SCHEMBL6020978 0.87 CCKBR (0.59) CCKBRFPR2FPR1MMP9MMP8
SCHEMBL6021746 0.84 CCKBR (0.56) CCKBRFPR2FPR1MMP9CTSL
SCHEMBL6020600 0.84 CTSL (0.61) CCKBRFPR2FPR1CTSLCTSS
SCHEMBL6020714 0.84 CTSL (0.44) CCKBRFPR2MMP9MMP8CTSL
SCHEMBL6019649 0.84 FPR2 (0.49) FPR2CTSLCTSSCTSKMAPT
SCHEMBL6021030 0.84 FPR2 (0.58) CCKBRFPR2FPR1MMP9MMP8
SCHEMBL6020963 0.81 FPR2 (0.53) FPR2FPR1CTSLCTSSCTSK

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 531/4885FPR2 3247/4885FPR1 3451/4885

“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.