SCHEMBL6019604

SCHEMBL6019604

CCN(C#N)C(=O)C(CS(C)(=O)=O)NC(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 7/20 0.52
TAS1R3 Q7RTX0 2/20 0.50
TAS1R1 Q7RTX1 2/20 0.50
NPSR1 Q6W5P4 1/20 0.49
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
CTSB P07858 2/20 0.42
CTSS P25774 2/20 0.42
CTSK P43235 2/20 0.42
HDAC3 O15379 2/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
DDR1 Q08345 4/20 0.41
CTSF Q9UBX1 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
KAT6A Q92794 1/20 0.40

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
SCHEMBL6020536 0.88 CTSL (0.53) CTSLTAS1R3TAS1R1NPSR1ALDH1A1
SCHEMBL6020741 0.86 CTSL (0.53) CTSLTAS1R3TAS1R1NPSR1ALDH1A1
SCHEMBL6020828 0.84 CTSL (0.59) CTSLTAS1R3TAS1R1NPSR1ALDH1A1
SCHEMBL6019224 0.84 CTSL (0.55) CTSLCTSBCTSSCTSKMEN1
SCHEMBL6019316 0.83 CTSL (0.42) CTSLALDH1A1CTSBCTSSCTSK
SCHEMBL6021428 0.83 CTSL (0.58) CTSLTAS1R3TAS1R1NPSR1ALDH1A1
SCHEMBL6020531 0.81 CTSL (0.74) CTSLTAS1R3TAS1R1NPSR1CTSB
SCHEMBL6020306 0.81 CTSL (0.53) CTSLTAS1R3TAS1R1NPSR1ALDH1A1
SCHEMBL6019613 0.80 CTSL (0.58) CTSLTAS1R3TAS1R1NPSR1ALDH1A1
SCHEMBL6019607 0.78 CTSL (0.62) CTSLTAS1R3TAS1R1NPSR1ALDH1A1

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
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 CTSL 2274/4885TAS1R3 1194/4885TAS1R1 1077/4885

“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.