Sugi Predict

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SCHEMBL6806971

SCHEMBL6806971

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 4/20 0.43
▸ RAB9A P51151 2/20 0.40
▸ BMP1 P13497 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ GAA P10253 1/20 0.35
▸ KCNH2 Q12809 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ ATR Q13535 1/20 0.34
▸ IKBKB O14920 1/20 0.34
▸ CTSL P07711 1/20 0.34
▸ CTSS P25774 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ LARS1 Q9P2J5 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
SCHEMBL6802384 0.91 BMP1 (0.38) AAK1RAB9ABMP1ALDH1A1GAA
SCHEMBL6798242 0.88 RAB9A (0.39) AAK1RAB9ABMP1ALDH1A1SMN1; SMN2
SCHEMBL6800330 0.87 AAK1 (0.45) AAK1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL6800014 0.84 SMN1; SMN2 (0.38) RAB9ABMP1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL7361089 0.84 IKBKB (0.39) RAB9ABMP1ALDH1A1GAAKCNH2
SCHEMBL7357734 0.84 RAB9A (0.39) RAB9ABMP1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL6806965 0.82 RAB9A (0.38) RAB9ABMP1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL7361087 0.78 RAB9A (0.34) RAB9ABMP1ALDH1A1TP53GAA
SCHEMBL6798235 0.76 RAB9A (0.36) RAB9ABMP1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL6801297 0.75 MGLL (0.34) ALDH1A1SMN1; SMN2KDM4EHPGDTSHR

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 AAK1 2729/4885RAB9A 256/4885BMP1 3129/4885
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV AAK1 2729/4885RAB9A 256/4885BMP1 3129/4885

“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.