SCHEMBL6021170

SCHEMBL6021170

CC(C#N)NC(=O)C(Cc1ccc(O)cc1)NC(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 6/20 0.50
ALDH1A1 P00352 3/20 0.44
CTSD P07339 1/20 0.43
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.41
CTSS P25774 2/20 0.41
CTSK P43235 2/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
PSMB5 P28074 1/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CTSB P07858 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
SCHEMBL6021783 0.93 ALDH1A1 (0.49) CTSLALDH1A1CTSDLMNACTSS
SCHEMBL6020173 0.87 CTSS (0.50) CTSLALDH1A1CTSDMMP9MMP8
SCHEMBL6021336 0.87 CTSL (0.68) CTSLCTSSCTSKCTSB
SCHEMBL6019611 0.84 CTSL (0.57) CTSLMMP9MMP8CTSSCTSK
SCHEMBL6019761 0.83 CTSL (0.54) CTSLMMP9MMP8CTSSCTSK
SCHEMBL6019579 0.83 CTSD (0.46) ALDH1A1CTSDLMNAHPGDCYP1A2
SCHEMBL6021168 0.83 CTSL (0.54) CTSLALDH1A1CTSDLMNACTSS
SCHEMBL6021341 0.82 CTSL (0.47) CTSLALDH1A1CTSDLMNAHPGD
SCHEMBL6020524 0.82 CTSD (0.44) CTSLALDH1A1CTSDLMNAHPGD
SCHEMBL6020801 0.81 CTSL (0.74) CTSLMMP9MMP8CTSSCTSK

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 5 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
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 2274/4885ALDH1A1 662/4885CTSD 2588/4885

“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.