Sugi Predict

Sugi Predict / Compounds / SCHEMBL6800322

SCHEMBL6800322

SCHEMBL6800322

CC(C)Cc1nc(-c2cccnc2)oc1C(=O)CNC(=O)[CH]CC(C)C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.38
▸ ALDH1A1 P00352 7/20 0.38
▸ HPGD P15428 4/20 0.38
▸ HSD17B10 Q99714 4/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ TP53 P04637 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ IKBKB O14920 1/20 0.38
▸ PPARG P37231 2/20 0.35
▸ PPARA Q07869 2/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ FBP1 P09467 1/20 0.32
▸ FAAH O00519 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ MKNK1 Q9BUB5 1/20 0.32

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
SCHEMBL6806965 0.86 RAB9A (0.38) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL6802999 0.83 KDM4E (0.34) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL6798235 0.83 RAB9A (0.36) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL6807131 0.81 PPARG (0.38) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL6800330 0.80 AAK1 (0.45) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL6801160 0.79 KDM4E (0.37) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL6798242 0.75 RAB9A (0.39) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL6800008 0.70 NPC1 (0.35) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL6806971 0.68 AAK1 (0.43) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL6800971 0.68 ERCC1 (0.34) —

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 KDM4E 4231/4885ALDH1A1 1591/4885HPGD 1552/4885
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV KDM4E 4231/4885ALDH1A1 1591/4885HPGD 1552/4885

“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.