Sugi Predict

Sugi Predict / Compounds / SCHEMBL6801160

SCHEMBL6801160

SCHEMBL6801160

CC(C[CH]C(=O)NCC(=O)c1oc(-c2ccccc2)nc1CN(C)C)C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.37
▸ RAB9A P51151 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ TP53 P04637 2/20 0.35
▸ PPARG P37231 6/20 0.35
▸ PPARA Q07869 4/20 0.35
▸ GAA P10253 1/20 0.34
▸ HPGD P15428 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ PDE10A Q9Y233 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
SCHEMBL6802589 0.83 KDM4E (0.37) KDM4ERAB9ANPC1TP53PPARG
SCHEMBL6796521 0.81 TP53 (0.37) KDM4ERAB9ANPC1TP53PPARG
SCHEMBL6800322 0.79 KDM4E (0.38) KDM4ERAB9ANPC1TP53PPARG
SCHEMBL6801170 0.78 HDAC1 (0.39) KDM4ERAB9ANPC1PPARGPPARA
SCHEMBL6802999 0.76 KDM4E (0.34) KDM4ERAB9ANPC1TP53HPGD
SCHEMBL6802592 0.76 GAA (0.38) KDM4ERAB9ANPC1PPARGPPARA
SCHEMBL6806965 0.75 RAB9A (0.38) KDM4ERAB9ANPC1TP53GAA
SCHEMBL6800783 0.72 RAB9A (0.36) RAB9ANPC1HDAC1HDAC2HDAC8
SCHEMBL6800008 0.72 NPC1 (0.35) KDM4ERAB9ANPC1TP53HPGD
SCHEMBL6799108 0.68 GAA (0.37) KDM4ETP53PPARGPPARAGAA

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 4231/4885RAB9A 256/4885NPC1 239/4885
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV KDM4E 4231/4885RAB9A 256/4885NPC1 239/4885

“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.