SCHEMBL6020732

SCHEMBL6020732

CC(C#N)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1cccc(CCl)c1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.61
CTSB P07858 1/20 0.57
CTSS P25774 1/20 0.57
TACR1 P25103 8/20 0.55
MRGPRX4 Q96LA9 1/20 0.51
ERAP2 Q6P179 1/20 0.50
PLAU P00749 1/20 0.49
PLAUR Q03405 1/20 0.49
LNPEP Q9UIQ6 1/20 0.49
ITGB2 P05107 1/20 0.48
ICAM1 P05362 1/20 0.48
ITGAL P20701 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
SCHEMBL6020331 0.90 CTSL (0.64) CTSLCTSBCTSSTACR1ERAP2
SCHEMBL6023428 0.89 CTSL (0.79) CTSLCTSBCTSSTACR1ERAP2
SCHEMBL6020917 0.88 CTSL (0.77) CTSLCTSBCTSSTACR1ITGB2
SCHEMBL6021037 0.85 TACR1 (0.61) CTSLCTSBCTSSTACR1MRGPRX4
SCHEMBL6020726 0.85 CTSL (0.65) CTSLCTSSTACR1
SCHEMBL6023423 0.84 TACR1 (0.57) CTSLCTSBCTSSTACR1MRGPRX4
SCHEMBL16892799 0.84 ERAP2 (0.69) TACR1MRGPRX4ERAP2LNPEPITGB2
SCHEMBL6019945 0.84 CTSL (0.58) CTSLCTSBCTSS
SCHEMBL6020717 0.83 CTSL (0.54) CTSLTACR1MRGPRX4ERAP2
SCHEMBL6021406 0.82 CTSL (0.47) CTSLCTSBCTSSTACR1

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 10 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
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-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 2274/4885CTSB 2514/4885CTSS 2720/4885

“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.