SCHEMBL6019393

SCHEMBL6019393

CS(=O)(=O)CC(NC(=O)Nc1ccc(SC(F)(F)F)cc1)C(=O)NCC#N

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSB P07858 11/20 0.43
CTSS P25774 11/20 0.43
CTSL P07711 8/20 0.43
FPR2 P25090 3/20 0.42
ALDH1A1 P00352 1/20 0.42
CTSK P43235 5/20 0.39
KIF11 P52732 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
CTSF Q9UBX1 1/20 0.38
MAPT P10636 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL6021372 0.91 FPR2 (0.41) CTSBCTSSCTSLFPR2ALDH1A1
SCHEMBL6020247 0.87 FPR2 (0.46) CTSBCTSSCTSLFPR2ALDH1A1
SCHEMBL6020915 0.86 FPR2 (0.57) CTSBCTSSCTSLFPR2CTSK
SCHEMBL6019744 0.84 FPR2 (0.53) CTSBCTSSCTSLFPR2ALDH1A1
SCHEMBL6020929 0.84 CTSS (0.57) CTSBCTSSCTSLFPR2CTSK
SCHEMBL6020567 0.83 CTSB (0.47) CTSBCTSSCTSLFPR2MAPT
SCHEMBL6020641 0.83 CTSS (0.53) CTSBCTSSCTSLCTSKCTSF
SCHEMBL6020298 0.82 CTSS (0.55) CTSBCTSSCTSLFPR2CTSK
SCHEMBL6021367 0.81 MCHR1 (0.39) CTSBCTSSCTSLFPR2ALDH1A1
SCHEMBL6021300 0.79 CTSS (0.49) CTSBCTSSCTSLFPR2CTSK

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 10 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
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 CTSB 2514/4885CTSS 2720/4885CTSL 2274/4885

“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.