Sugi Predict

Sugi Predict / Compounds / SCHEMBL6798235

SCHEMBL6798235

SCHEMBL6798235

CC(Cc1nc(-c2cccnc2)oc1C(=O)CNC(=O)[CH]CC1CCCCC1)C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.36
▸ KCNH2 Q12809 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ ATR Q13535 1/20 0.34
▸ IKBKB O14920 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
▸ PIK3CA P42336 1/20 0.33
▸ USP2 O75604 1/20 0.32
▸ HTT P42858 2/20 0.32
▸ GALR3 O60755 1/20 0.32
▸ LMNA P02545 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 0.88 RAB9A (0.38) RAB9AKCNH2ATMATRIKBKB
SCHEMBL6800322 0.83 KDM4E (0.38) RAB9AIKBKBALDH1A1SMN1; SMN2KDM4E
SCHEMBL6798242 0.78 RAB9A (0.39) RAB9AKCNH2ATMATRBMP1
SCHEMBL7361087 0.78 RAB9A (0.34) RAB9AKCNH2ATMATRIKBKB
SCHEMBL7361089 0.77 IKBKB (0.39) RAB9AKCNH2ATMATRIKBKB
SCHEMBL6800778 0.77 RAB9A (0.35) RAB9AALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL7357734 0.76 RAB9A (0.39) RAB9AKCNH2ATMATRIKBKB
SCHEMBL6806971 0.76 AAK1 (0.43) RAB9AKCNH2ATMATRIKBKB
SCHEMBL6806939 0.75 CTSL (0.36) TP53PPARGPPARA
SCHEMBL6802384 0.74 BMP1 (0.38) RAB9AKCNH2ATMATRIKBKB

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.