SCHEMBL6019176

SCHEMBL6019176

CC(NC(=O)NC(Cc1ccc(O)cc1)C(=O)NCC#N)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSL P07711 9/20 0.68
CTSS P25774 10/20 0.62
CTSB P07858 8/20 0.62
MMP9 P14780 1/20 0.60
MMP8 P22894 1/20 0.60
CTSK P43235 6/20 0.59
OPRM1 P35372 1/20 0.56
OPRD1 P41143 1/20 0.56
OPRK1 P41145 1/20 0.56
PSMB1 P20618 2/20 0.54
PSMB5 P28074 2/20 0.54
PSMB2 P49721 2/20 0.54

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
SCHEMBL6019170 1.00 CTSL (0.68) CTSLCTSSCTSBMMP9MMP8
SCHEMBL6019211 0.93 CTSL (0.71) CTSLCTSSCTSBCTSKPSMB1
SCHEMBL6019207 0.93 CTSL (0.71) CTSLCTSSCTSBCTSKPSMB1
SCHEMBL6019619 0.91 CTSL (0.57) CTSLCTSSCTSBMMP9MMP8
SCHEMBL6020905 0.86 CTSB (0.66) CTSLCTSSCTSBMMP9MMP8
SCHEMBL6020900 0.86 CTSB (0.66) CTSLCTSSCTSBMMP9MMP8
SCHEMBL6019531 0.84 CTSS (0.59) CTSLCTSSCTSBMMP9MMP8
SCHEMBL6020441 0.84 CTSL (0.71) CTSLCTSSCTSBCTSKPSMB5
SCHEMBL6020418 0.82 CTSL (0.52) CTSLCTSSCTSBCTSK
SCHEMBL6020412 0.82 CTSL (0.52) CTSLCTSSCTSBCTSK

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-1575903-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES Jerini AG (DE) 2005-09-21 EP claimed
WO-2005009392-A2 DIHYDROPYRIMIDONE INHIBITORS OF CALCIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2005-02-03 WO 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-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 2274/4885CTSS 2720/4885CTSB 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.