SCHEMBL3901150

SCHEMBL3901150

CCC(C)(C)CC(OC(=O)N1CCOCC1)C(=O)NC(C)(C#N)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 14/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
PLA2G7 Q13093 1/20 0.37
MMP8 P22894 1/20 0.36
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL3898098 0.92 CTSS (0.50) CTSSMEN1KMT2ANPSR1ALDH1A1
SCHEMBL3896945 0.90 CTSS (0.45) CTSSMEN1KMT2ANPSR1ALDH1A1
SCHEMBL3900227 0.90 MEN1 (0.45) CTSSMEN1KMT2ANPSR1ALDH1A1
SCHEMBL3898080 0.89 MEN1 (0.46) CTSSMEN1KMT2ANPSR1ALDH1A1
SCHEMBL3897434 0.88 CTSS (0.48) CTSSMEN1KMT2ANPSR1ALDH1A1
SCHEMBL3896965 0.88 CTSS (0.47) CTSSMEN1KMT2ANPSR1ALDH1A1
SCHEMBL3895845 0.87 MEN1 (0.43) CTSSMEN1KMT2ANPSR1ALDH1A1
SCHEMBL3896883 0.87 CTSS (0.45) CTSSMEN1KMT2ANPSR1ALDH1A1
SCHEMBL3898209 0.87 CTSS (0.45) CTSSMEN1KMT2ANPSR1ALDH1A1
SCHEMBL3903519 0.86 CTSS (0.46) CTSSMEN1KMT2ANPSR1ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1399431-B1 NOVEL NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMA (US) 2009-02-18 EP claimed
US-6982263-B2 Nitriles useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-01-03 US claimed
US-20030119827-A1 Novel nitriles useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-06-26 US claimed
EP-1399431-B1 NOVEL NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMA (US) 2009-02-18 EP disclosed
US-6982263-B2 Nitriles useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-01-03 US disclosed
US-20030119827-A1 Novel nitriles useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-06-26 US 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-20030119827-A1 Novel nitriles useful as reversible inhibitors of cysteine proteases NOS1, CTSK, CTSS CTSS 3/4885MEN1 2101/4885KMT2A 4088/4885

“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.