SCHEMBL6020657

SCHEMBL6020657

COC(=O)NC(Cc1ccccc1)C(=O)NC(C)C#N

nearest known ligand 0.80

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 10/20 0.57
CTSL P07711 9/20 0.57
CTSK P43235 8/20 0.57
CTSB P07858 5/20 0.57
TACR1 P25103 1/20 0.55
ALDH1A1 P00352 1/20 0.49
THRB P10828 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ANPEP P15144 1/20 0.48

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
SCHEMBL6020588 0.89 CTSL (0.60) CTSSCTSLCTSKCTSBTACR1
SCHEMBL6020467 0.88 CTSS (0.56) CTSSCTSLCTSKCTSBTACR1
SCHEMBL6019102 0.88 CTSL (0.62) CTSSCTSLCTSKCTSBTACR1
SCHEMBL6021410 0.88 CTSL (0.59) CTSSCTSLCTSKCTSBTACR1
SCHEMBL6019884 0.88 CTSS (0.74) CTSSCTSLCTSKCTSB
SCHEMBL6021448 0.86 CTSS (0.60) CTSSCTSLCTSKCTSBTACR1
SCHEMBL6021250 0.85 CTSL (0.56) CTSSCTSLCTSKCTSBTACR1
SCHEMBL6021199 0.84 CTSL (0.72) CTSSCTSLCTSKCTSB
SCHEMBL6020296 0.84 CTSS (0.79) CTSSCTSLCTSKCTSB
SCHEMBL6019247 0.83 CTSL (0.54) CTSSCTSLCTSKCTSBTACR1

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 6 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-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-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 CTSS 2720/4885CTSL 2274/4885CTSK 2529/4885

“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.