SCHEMBL6021076

SCHEMBL6021076

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.41
FPR2 P25090 4/20 0.41
KIF11 P52732 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
ALDH1A1 P00352 1/20 0.38
ABL1 P00519 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 1/20 0.35
NTRK1 P04629 1/20 0.34
UBE2M P61081 1/20 0.34
DCUN1D1 Q96GG9 1/20 0.34

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
SCHEMBL6021367 0.88 MCHR1 (0.39) MCHR1FPR2KIF11TRPV1CTSL
SCHEMBL6019541 0.87 FPR2 (0.47) MCHR1FPR2CTSLCTSBCTSS
SCHEMBL6019649 0.87 FPR2 (0.49) FPR2CTSLCTSBCTSSCTSK
SCHEMBL6020383 0.86 CTSS (0.40) MCHR1FPR2CTSLCTSBCTSS
SCHEMBL6020135 0.84 FPR2 (0.50) MCHR1FPR2ALDH1A1SMN1; SMN2NPC1
SCHEMBL6020182 0.84 SAE1 (0.45) MCHR1FPR2CTSLCTSBCTSS
SCHEMBL6019707 0.83 MMP9 (0.42) MCHR1FPR2CTSLCTSBCTSS
SCHEMBL6442131 0.83 FPR2 (0.57) FPR2CTSLCTSBCTSSCTSK
SCHEMBL6019816 0.83 CTSL (0.48) MCHR1FPR2CTSLCTSBCTSS
SCHEMBL6020714 0.81 CTSL (0.44) MCHR1FPR2CTSLCTSBCTSS

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 MCHR1 1470/4885FPR2 3247/4885KIF11 1461/4885

“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.