SCHEMBL6801296

SCHEMBL6801296

CC(C[CH]C(=O)NCC(=O)c1oc(C2CCN(c3ncccn3)CC2)nc1CC1CCCCC1)C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.32
GAA P10253 1/20 0.32
HSD17B10 Q99714 2/20 0.31
USP2 O75604 1/20 0.31
ALOX15 P16050 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 3/20 0.30
KDM4E B2RXH2 2/20 0.30
TSHR P16473 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
AXL P30530 1/20 0.30

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
SCHEMBL6801297 0.84 MGLL (0.34) MGLLGAAHSD17B10USP2ALOX15
SCHEMBL6800870 0.81
SCHEMBL6800008 0.80 NPC1 (0.35) SMN1; SMN2ALDH1A1KDM4ELMNAHPGD
SCHEMBL6802745 0.77 AXL (0.32) MGLLALDH1A1KDM4ETSHRLMNA
SCHEMBL6800971 0.74 ERCC1 (0.34)
SCHEMBL6802746 0.72 KDM4E (0.33) GAAHSD17B10SMN1; SMN2ALDH1A1KDM4E
SCHEMBL17152339 0.70 MEN1 (0.46) SMN1; SMN2ALDH1A1KDM4ELMNAHPGD
SCHEMBL6802978 0.70
SCHEMBL6802381 0.66 CNR1 (0.37) LMNA
SCHEMBL6802999 0.65 KDM4E (0.34) HSD17B10SMN1; SMN2ALDH1A1KDM4EHPGD

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 MGLL 2717/4885GAA 47/4885HSD17B10 3067/4885
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV MGLL 2717/4885GAA 47/4885HSD17B10 3067/4885

“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.