Sugi Predict

Sugi Predict / Compounds / SCHEMBL6797743

SCHEMBL6797743

SCHEMBL6797743

CC(C)Cc1nc(C2CCN(C)CC2)oc1C(=O)C(CCc1ccccc1)NC(=O)C(N)CC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 4/20 0.37
▸ CTSB P07858 3/20 0.37
▸ CTSL P07711 3/20 0.37
▸ CTSK P43235 2/20 0.37
▸ CYP3A4 P08684 3/20 0.35
▸ CYP3A5 P20815 2/20 0.35
▸ CYP3A7 P24462 2/20 0.35
▸ CYP3A43 Q9HB55 2/20 0.35
▸ CYP2D6 P10635 1/20 0.34
▸ HTR4 Q13639 1/20 0.34
▸ TMPRSS11D O60235 1/20 0.33
▸ CTRL P40313 1/20 0.33
▸ PSMB5 P28074 4/20 0.33
▸ ASAH1 Q13510 2/20 0.33
▸ PSMB11 A5LHX3 1/20 0.33
▸ PSMD11 O00231 1/20 0.33
▸ PSMD12 O00232 1/20 0.33
▸ PSMD14 O00487 1/20 0.33
▸ PSMA7 O14818 1/20 0.33
▸ PSMD3 O43242 1/20 0.33

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
SCHEMBL6801809 0.91 KDM4E (0.37) CTSSCTSBCTSLCTSKCYP3A4
SCHEMBL6807156 0.89 MMP2 (0.40) CTSSCTSBCTSLMMP2
SCHEMBL6797741 0.83 CTSS (0.34) CTSSCTSBCTSLCTSKCYP3A4
SCHEMBL6800152 0.80 CTSS (0.38) CTSSCTSBCTSLCTSKCYP3A4
SCHEMBL6797434 0.79 CTSL (0.37) CTSSCTSBCTSLCTSKTMPRSS11D
SCHEMBL6801357 0.78 CTSL (0.42) CTSSCTSBCTSLCTSKMMP2
SCHEMBL6801806 0.76 KDM4E (0.35) CTSSCTSBCTSLCTSKCYP3A4
SCHEMBL6807154 0.75 KMT2A (0.36) CTSSCTSBCTSLMMP2
SCHEMBL6799385 0.75 TP53 (0.39) CTSSCTSBCTSLCTSKCTSC
SCHEMBL6802083 0.72 TP53 (0.37) CTSSCTSBCTSLCTSKCTSC

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-6730671-B2 ENZYME INHIBITOR TREATING AUTOIMMUNE DISEASES, ALZHEIMER'S DISEASE, ATHEROSCLEROSIS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-05-04 — — US disclosed
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-08-21 — — US disclosed
US-6608057-B2 Compounds useful as reversible inhibitors of cathepsin S BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-08-19 — — US disclosed
US-20020091259-A1 Compounds useful as reversible inhibitors of cathepsin S CYWIN CHARLES L (US) 2002-07-11 — — US disclosed
US-6395897-B1 DRUGS FOR ENZYME INHIBITORS ANTICOAGULANTS AND TREATMENT OF AUTOIMMUNE DISEASE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-05-28 — — 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 (2 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-20020091259-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV CTSS 1/4885CTSB 2/4885CTSL 12/4885
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV CTSS 1/4885CTSB 2/4885CTSL 12/4885

“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.