Sugi Predict

Sugi Predict / Compounds / SCHEMBL6806965

SCHEMBL6806965

SCHEMBL6806965

CC(C[CH]C(=O)NCC(=O)c1oc(-c2cccnc2)nc1CC1CCCCC1)C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.38
▸ KCNH2 Q12809 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ ATR Q13535 1/20 0.34
▸ IKBKB O14920 1/20 0.34
▸ FPR2 P25090 1/20 0.34
▸ BMP1 P13497 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ USP2 O75604 1/20 0.32
▸ HTR6 P50406 1/20 0.32
▸ HTT P42858 2/20 0.32
▸ GALR3 O60755 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
SCHEMBL6798235 0.88 RAB9A (0.36) RAB9AKCNH2ATMATRIKBKB
SCHEMBL6800322 0.86 KDM4E (0.38) RAB9AIKBKBALDH1A1SMN1; SMN2KDM4E
SCHEMBL6800008 0.85 NPC1 (0.35) RAB9ABMP1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL7361087 0.84 RAB9A (0.34) RAB9AKCNH2ATMATRIKBKB
SCHEMBL7361089 0.83 IKBKB (0.39) RAB9AKCNH2ATMATRIKBKB
SCHEMBL7357734 0.83 RAB9A (0.39) RAB9AKCNH2ATMATRIKBKB
SCHEMBL6806971 0.82 AAK1 (0.43) RAB9AKCNH2ATMATRIKBKB
SCHEMBL6802384 0.81 BMP1 (0.38) RAB9AKCNH2ATMATRIKBKB
SCHEMBL6798242 0.77 RAB9A (0.39) RAB9AKCNH2ATMATRFPR2
SCHEMBL6801296 0.76 MGLL (0.32) ALDH1A1SMN1; SMN2GAAKDM4EHPGD

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 7 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
EP-1159273-A1 COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CATHEPSIN S BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2001-12-05 — — EP disclosed
WO-2000051998-A1 COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CATHEPSIN S BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-09-08 — — WO 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 RAB9A 256/4885KCNH2 3846/4885ATM 4313/4885
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV RAB9A 256/4885KCNH2 3846/4885ATM 4313/4885

“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.