SCHEMBL6020972

SCHEMBL6020972

N#CCCNC(=O)C(Cc1ccccc1)NC(=O)CCC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.60
CTSL P07711 8/20 0.60
CTSB P07858 6/20 0.60
CTSK P43235 5/20 0.56
CHRNB2 P17787 1/20 0.50
CHRNB4 P30926 1/20 0.50
CHRNA3 P32297 1/20 0.50
CHRNA4 P43681 1/20 0.50
PTPN1 P18031 1/20 0.49

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
SCHEMBL6021465 0.91 CTSL (0.54) CTSSCTSLCTSK
SCHEMBL14761375 0.90 CHRNB2 (0.58) CTSSCTSLCTSBCHRNB2CHRNB4
SCHEMBL6020853 0.89 CTSB (0.58) CTSSCTSLCTSBCTSKPTPN1
SCHEMBL6020842 0.89 CTSB (0.58) CTSSCTSLCTSBCTSKPTPN1
SCHEMBL6019903 0.89 CTSL (0.76) CTSSCTSLCTSBCTSK
SCHEMBL14765234 0.86 CHRNB2 (0.64) CHRNB2CHRNB4CHRNA3CHRNA4PTPN1
SCHEMBL14761409 0.86 CHRNB2 (0.64) CTSSCTSLCTSBCHRNB2CHRNB4
SCHEMBL14761872 0.85 CHRNB2 (0.63) CHRNB2CHRNB4CHRNA3CHRNA4PTPN1
SCHEMBL14761410 0.85 CHRNB2 (0.63) CHRNB2CHRNB4CHRNA3CHRNA4PTPN1
SCHEMBL14761660 0.85 CHRNB2 (0.63) CHRNB2CHRNB4CHRNA3CHRNA4PTPN1

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 9 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
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 CTSS 2720/4885CTSL 2274/4885CTSB 2514/4885

“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.