Sugi Predict

Sugi Predict / Compounds / SCHEMBL6801357

SCHEMBL6801357

SCHEMBL6801357

CC(C)Cc1nc(-c2cccnc2)oc1C(=O)C(CCc1ccccc1)NC(=O)C(N)CC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 4/20 0.42
▸ CTSB P07858 4/20 0.42
▸ MMP12 P39900 2/20 0.40
▸ PPARG P37231 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ POLB P06746 2/20 0.37
▸ FAAH O00519 1/20 0.35
▸ CES1 P23141 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ ESR1 P03372 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
SCHEMBL6797434 0.92 CTSL (0.37) CTSLCTSBPPARGPPARAFAAH
SCHEMBL6807134 0.91 CTSL (0.44) CTSLCTSBMMP12PPARGPPARA
SCHEMBL6799385 0.85 TP53 (0.39) CTSLCTSBPPARGPPARAKDM4E
SCHEMBL6801355 0.82 CTSL (0.38) CTSLCTSBMMP12PPARGPPARA
SCHEMBL6802083 0.82 TP53 (0.37) CTSLCTSBPPARGPPARATP53
SCHEMBL7246595 0.81 CTSC (0.38) CTSLCTSBPPARGKDM4EHSD17B10
SCHEMBL6807131 0.81 PPARG (0.38) CTSLCTSBMMP12PPARGPPARA
SCHEMBL6806942 0.79 CTSL (0.43) CTSLCTSBMMP1MMP2MMP3
SCHEMBL6797743 0.78 CTSS (0.37) CTSLCTSBMMP2CTSSCTSK
SCHEMBL6801809 0.77 KDM4E (0.37) CTSLCTSBLMNAKDM4EALDH1A1

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 CTSL 12/4885CTSB 2/4885MMP12 433/4885
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV CTSL 12/4885CTSB 2/4885MMP12 433/4885

“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.