SCHEMBL6020534

SCHEMBL6020534

CCN(C#N)C(=O)C(Cc1ccc2ccccc2c1)NC(=O)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 3/20 0.53
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
CTSB P07858 3/20 0.44
CTSS P25774 3/20 0.44
CTSK P43235 2/20 0.44
UTS2R Q9UKP6 3/20 0.43
CTSL P07711 2/20 0.42
TACR1 P25103 3/20 0.41
CTNNB1 P35222 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
BCL2A1 Q16548 1/20 0.40
JAK2 O60674 1/20 0.39
PIN1 Q13526 1/20 0.39
RAF1 P04049 1/20 0.39

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
SCHEMBL6020097 0.90 FPR2 (0.66) FPR2CTSBCTSSCTSKCTSL
SCHEMBL6021526 0.89 FPR2 (0.56) FPR2MMP9MMP8CTSBCTSS
SCHEMBL6019735 0.89 CTSB (0.52) FPR2MMP9MMP8CTSBCTSS
SCHEMBL6019707 0.89 MMP9 (0.42) FPR2MMP9MMP8CTSBCTSS
SCHEMBL6020663 0.88 TACR1 (0.51) FPR2MMP9MMP8TACR1
SCHEMBL6020374 0.87 FPR2 (0.53) FPR2CTSBCTSSCTSKUTS2R
SCHEMBL6020840 0.86 JAK2 (0.49) FPR2MMP9MMP8CTSBCTSS
SCHEMBL6020637 0.85 TACR1 (0.50) FPR2MMP9MMP8CTSBCTSS
SCHEMBL6019674 0.84 MMP9 (0.41) FPR2MMP9MMP8CTSBCTSS
SCHEMBL6020095 0.83 MMP9 (0.42) MMP9MMP8CTSBCTSSCTSK

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 11 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
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 FPR2 3247/4885MMP9 2430/4885MMP8 2383/4885

“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.