Sugi Predict

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SCHEMBL6801170

SCHEMBL6801170

CC(C)CC(N)C(=O)NCC(=O)c1oc(-c2ccccc2)nc1CN(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ LARS1 Q9P2J5 6/20 0.39
▸ KDM4E B2RXH2 3/20 0.37
▸ NR4A2 P43354 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ MTNR1A P48039 1/20 0.35
▸ MTNR1B P49286 1/20 0.35
▸ HSD17B10 Q99714 3/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ AAK1 Q2M2I8 1/20 0.34

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
SCHEMBL6802592 0.87 GAA (0.38) HDAC1HDAC2HDAC8KDM4EGAA
SCHEMBL6800783 0.83 RAB9A (0.36) HDAC1HDAC2HDAC8NPC1RAB9A
SCHEMBL6796528 0.80 TP53 (0.39) PPARGPPARA
SCHEMBL6800330 0.79 AAK1 (0.45) LARS1KDM4ENPC1RAB9AHSD17B10
SCHEMBL6801160 0.78 KDM4E (0.37) HDAC1HDAC2HDAC8KDM4EGAA
SCHEMBL6803005 0.76 ALDH1A1 (0.36) LARS1KDM4EALDH1A1HPGDAAK1
SCHEMBL6802589 0.74 KDM4E (0.37) KDM4EGAANPC1RAB9AHSD17B10
SCHEMBL6806971 0.74 AAK1 (0.43) LARS1KDM4EGAANPC1RAB9A
SCHEMBL6799113 0.71 GAA (0.41) HDAC1HDAC2HDAC8KDM4EGAA
SCHEMBL6800014 0.71 SMN1; SMN2 (0.38) LARS1KDM4ENPC1RAB9AMAPT

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 HDAC1 95/4885HDAC2 198/4885HDAC8 357/4885
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV HDAC1 95/4885HDAC2 198/4885HDAC8 357/4885

“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.