Sugi Predict

Sugi Predict / Compounds / SCHEMBL6803053

SCHEMBL6803053

SCHEMBL6803053

N[C@@H](CC1CCCCC1)C(=O)NCC(=O)c1oc(-c2ccccc2)nc1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.42
▸ RAB9A P51151 1/20 0.40
▸ METAP2 P50579 3/20 0.39
▸ METAP1 P53582 3/20 0.39
▸ CTSK P43235 2/20 0.37
▸ CTSS P25774 2/20 0.37
▸ CTSL P07711 1/20 0.37
▸ CTSB P07858 1/20 0.37
▸ BCHE P06276 3/20 0.36
▸ MME P08473 1/20 0.36
▸ ACE P12821 1/20 0.36
▸ CPA1 P15085 1/20 0.36
▸ ACE2 Q9BYF1 1/20 0.36
▸ CHRNB2 P17787 2/20 0.35
▸ CHRNB4 P30926 2/20 0.35
▸ CHRNA3 P32297 2/20 0.35
▸ CHRNA4 P43681 2/20 0.35
▸ GRIN1 Q05586 1/20 0.35
▸ GRIN2A Q12879 1/20 0.35
▸ GRM1 Q13255 1/20 0.35

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
SCHEMBL6800783 0.85 RAB9A (0.36) RAB9AMETAP2METAP1CTSKCTSS
SCHEMBL7238076 0.81 MMP2 (0.44) MAPTCTSKCTSSCTSLCTSB
SCHEMBL6802384 0.80 BMP1 (0.38) RAB9AHDAC1HDAC2
SCHEMBL6799113 0.80 GAA (0.41) HDAC1HDAC2HDAC8
SCHEMBL6798242 0.77 RAB9A (0.39) RAB9A
SCHEMBL6803048 0.72 RAB9A (0.36) MAPTRAB9A
SCHEMBL6806971 0.70 AAK1 (0.43) RAB9ACTSKCTSSCTSL
SCHEMBL6807014 0.69 CTSL (0.45) CTSKCTSSCTSLCTSBMME
SCHEMBL7144493 0.68 EPHX2 (0.61) RAB9A
SCHEMBL13073340 0.68 EPHX2 (0.61) RAB9A

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-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-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 MAPT 4319/4885RAB9A 256/4885METAP2 202/4885
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV MAPT 4319/4885RAB9A 256/4885METAP2 202/4885

“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.