SCHEMBL6019377

SCHEMBL6019377

CN(C#N)C(=O)C(CS(C)(=O)=O)NC(=O)C=CC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
CTSF Q9UBX1 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
NR4A1 P22736 1/20 0.31

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
SCHEMBL6019373 1.00 ALDH1A1 (0.38) ALDH1A1GAACTSLCTSBCTSS
SCHEMBL6019820 0.85 ALDH1A1 (0.36) ALDH1A1GAACTSLCTSBCTSS
SCHEMBL6019791 0.84 TSHR (0.35) CTSLCTSBCTSSCTSKCTSF
SCHEMBL6021452 0.81 ALDH1A1 (0.40) ALDH1A1GAACTSLCTSBCTSS
SCHEMBL6021456 0.81 ALDH1A1 (0.40) ALDH1A1GAACTSLCTSBCTSS
SCHEMBL6019381 0.78 CTSS (0.43) ALDH1A1GAACTSLCTSBCTSS
SCHEMBL6020060 0.78 CTSL (0.34) CTSLCTSBCTSSCTSKCTSF
SCHEMBL6020545 0.77 PHF8 (0.36) CTSLCTSBCTSSCTSKCTSF
SCHEMBL6020120 0.76 TAAR1 (0.56) CTSLCTSBCTSSCTSKTAAR1
SCHEMBL6020126 0.76 TAAR1 (0.56) CTSLCTSBCTSSCTSKTAAR1

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 8 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-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
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 ALDH1A1 662/4885GAA 3708/4885CTSL 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.