Sugi Predict

Sugi Predict / Compounds / SCHEMBL6802592

SCHEMBL6802592

SCHEMBL6802592

CN(C)Cc1nc(-c2ccccc2)oc1C(=O)CNC(=O)C(N)CC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.38
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ HPGD P15428 2/20 0.35
▸ PPARA Q07869 7/20 0.35
▸ PPARG P37231 6/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ PPARD Q03181 1/20 0.33
▸ F2 P00734 1/20 0.33
▸ MTNR1A P48039 1/20 0.33
▸ MTNR1B P49286 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ IKBKB O14920 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
SCHEMBL6801170 0.87 HDAC1 (0.39) GAAHDAC1HDAC2HDAC8KDM4E
SCHEMBL6799113 0.85 GAA (0.41) GAAHDAC1HDAC2HDAC8KDM4E
SCHEMBL6800783 0.83 RAB9A (0.36) HDAC1HDAC2HDAC8NPC1RAB9A
SCHEMBL6800123 0.82 LMNA (0.41) KDM4EALDH1A1NPC1RAB9A
SCHEMBL6802083 0.80 TP53 (0.37) GAAPPARAPPARG
SCHEMBL6802589 0.77 KDM4E (0.37) GAAKDM4EHPGDPPARAPPARG
SCHEMBL6801160 0.76 KDM4E (0.37) GAAHDAC1HDAC2HDAC8KDM4E
SCHEMBL6799385 0.70 TP53 (0.39) GAAKDM4EPPARAPPARGALDH1A1
SCHEMBL6796528 0.68 TP53 (0.39) PPARAPPARG
SCHEMBL7246595 0.67 CTSC (0.38) GAAKDM4EPPARGHSD17B10MTNR1A

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 GAA 47/4885HDAC1 95/4885HDAC2 198/4885
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV GAA 47/4885HDAC1 95/4885HDAC2 198/4885

“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.