Sugi Predict

Sugi Predict / Compounds / SCHEMBL6799108

SCHEMBL6799108

SCHEMBL6799108

CC(C)(C[CH]C(=O)NCC(=O)c1oc(-c2ccccc2)nc1-c1ccccc1)C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.37
▸ KDM4E B2RXH2 4/20 0.37
▸ PPARG P37231 4/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ NCOA2 Q15596 1/20 0.37
▸ PPARA Q07869 4/20 0.35
▸ SLC9A1 P19634 1/20 0.35
▸ SMO Q99835 1/20 0.35
▸ IKBKB O14920 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ PPARD Q03181 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ TARBP2 Q15633 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ F2 P00734 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ ALOX15 P16050 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
SCHEMBL6802589 0.85 KDM4E (0.37) GAAKDM4EPPARGHSD17B10PPARA
SCHEMBL6800113 0.81 LMNA (0.41) KDM4EALDH1A1TP53MAPT
SCHEMBL7246591 0.78 KDM4E (0.35) GAAKDM4EPPARGHSD17B10NCOA2
SCHEMBL6799113 0.75 GAA (0.41) GAAKDM4EPPARGHSD17B10NCOA2
SCHEMBL7661859 0.73 PPARG (0.35) GAAKDM4EPPARGHSD17B10NCOA2
SCHEMBL6803048 0.70 RAB9A (0.36) KDM4EHSD17B10IKBKBALDH1A1MAPT
SCHEMBL6799382 0.69 TP53 (0.37) KDM4EPPARGPPARAALDH1A1TP53
SCHEMBL4741742 0.69 IKBKB (0.57) GAAKDM4EPPARGHSD17B10NCOA2
SCHEMBL6801160 0.68 KDM4E (0.37) GAAKDM4EPPARGHSD17B10PPARA
SCHEMBL6802080 0.68 TP53 (0.35) KDM4EPPARGPPARATP53PPARD

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-6608057-B2 Compounds useful as reversible inhibitors of cathepsin S BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-08-19 — — US claimed
US-20020091259-A1 Compounds useful as reversible inhibitors of cathepsin S CYWIN CHARLES L (US) 2002-07-11 — — US claimed
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-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 47/4885KDM4E 4231/4885PPARG 1561/4885
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV GAA 47/4885KDM4E 4231/4885PPARG 1561/4885

“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.