SCHEMBL6020568

SCHEMBL6020568

CN(C#N)C(=O)C(Cc1ccccc1)NC(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 11/20 0.61
NPSR1 Q6W5P4 1/20 0.51
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
CTSS P25774 1/20 0.49
CTSK P43235 1/20 0.49
ALDH1A1 P00352 1/20 0.48
KIFC1 Q9BW19 2/20 0.48
GPR139 Q6DWJ6 1/20 0.46
CTSB P07858 1/20 0.46
GPR132 Q9UNW8 2/20 0.46

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
SCHEMBL6020483 0.92 CTSL (0.59) CTSLNPSR1TAS1R3TAS1R1CTSS
SCHEMBL6021070 0.89 CTSL (0.54) CTSLNPSR1TAS1R3TAS1R1CTSS
SCHEMBL6020828 0.88 CTSL (0.59) CTSLNPSR1TAS1R3TAS1R1CTSS
SCHEMBL5517750 0.86 CTSL (0.64) CTSLCTSSCTSKCTSB
SCHEMBL6021764 0.86 CTSL (0.64) CTSLCTSSCTSKCTSB
SCHEMBL6021401 0.85 CTSL (0.55) CTSLNPSR1TAS1R3TAS1R1ALDH1A1
SCHEMBL6020312 0.84 CTSL (0.52) CTSLCTSSCTSKALDH1A1GPR139
SCHEMBL6020536 0.84 CTSL (0.53) CTSLNPSR1TAS1R3TAS1R1CTSS
SCHEMBL6020565 0.83 CTSL (0.85) CTSLCTSSCTSKCTSB
SCHEMBL6020602 0.82 TACR1 (0.49) CTSLNPSR1TAS1R3TAS1R1CTSS

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 11 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
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 CTSL 2274/4885NPSR1 3020/4885TAS1R3 1194/4885

“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.