SCHEMBL6019707

SCHEMBL6019707

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
CTSB P07858 4/20 0.42
CTSS P25774 4/20 0.42
CTSK P43235 3/20 0.42
CTSL P07711 3/20 0.40
TACR1 P25103 5/20 0.40
FPR2 P25090 6/20 0.39
JAK2 O60674 1/20 0.38
MCHR1 Q99705 1/20 0.38
MME P08473 1/20 0.37
ACE P12821 1/20 0.37
CPA1 P15085 1/20 0.37
ACE2 Q9BYF1 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
FPR1 P21462 2/20 0.36

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
SCHEMBL6019649 0.90 FPR2 (0.49) CTSBCTSSCTSKCTSLFPR2
SCHEMBL6019674 0.89 MMP9 (0.41) MMP9MMP8CTSBCTSSCTSK
SCHEMBL6020534 0.89 FPR2 (0.53) MMP9MMP8CTSBCTSSCTSK
SCHEMBL6020383 0.88 CTSS (0.40) CTSBCTSSCTSKCTSLFPR2
SCHEMBL6021526 0.87 FPR2 (0.56) MMP9MMP8CTSBCTSSCTSK
SCHEMBL6019735 0.86 CTSB (0.52) MMP9MMP8CTSBCTSSCTSK
SCHEMBL6442131 0.86 FPR2 (0.57) CTSBCTSSCTSKCTSLFPR2
SCHEMBL6020663 0.86 TACR1 (0.51) MMP9MMP8TACR1FPR2FPR1
SCHEMBL6020840 0.84 JAK2 (0.49) MMP9MMP8CTSBCTSSCTSK
SCHEMBL6021076 0.83 MCHR1 (0.41) CTSBCTSSCTSKCTSLFPR2

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
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
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 MMP9 2430/4885MMP8 2383/4885CTSB 2514/4885

“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.