SCHEMBL6019306

SCHEMBL6019306

CCN(C#N)C(=O)C(CS(C)(=O)=O)NC(=S)Nc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA1 P00915 7/20 0.40
CA2 P00918 7/20 0.40
CTSL P07711 2/20 0.40
CTSB P07858 2/20 0.40
CTSS P25774 2/20 0.40
CTSK P43235 2/20 0.40
CTSF Q9UBX1 1/20 0.40
PTGS2 P35354 1/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL6021538 0.88 PTGS2 (0.44) GAAKMT2ALMNAHPGDCA1
SCHEMBL6021732 0.86 ALDH1A1 (0.45) GAAKMT2ALMNAHPGDSMN1; SMN2
SCHEMBL6019949 0.85 CA1 (0.35) KMT2ASMN1; SMN2CA1CA2CTSL
SCHEMBL6019920 0.84 GAA (0.45) GAAKMT2ALMNAHPGDSMN1; SMN2
SCHEMBL6021189 0.84 CA1 (0.49) GAAKMT2ALMNAHPGDSMN1; SMN2
SCHEMBL6020532 0.84 L3MBTL1 (0.47) LMNAHPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL6021519 0.84 CTSL (0.46) KMT2ACA1CA2CTSLCTSB
SCHEMBL6019224 0.82 CTSL (0.55) KMT2ALMNACTSLCTSBCTSS
SCHEMBL6019826 0.81 CTSL (0.51) GAAKMT2ALMNAHPGDSMN1; SMN2
SCHEMBL6023442 0.81 CYP2C9 (0.47) HPGDSMN1; SMN2CA1CA2CTSL

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 GAA 3708/4885KMT2A 1324/4885LMNA 549/4885

“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.