Sugi Predict

Sugi Predict / Compounds / SCHEMBL6807320

SCHEMBL6807320

SCHEMBL6807320

N#C[CH]CS(=O)(=O)Cc1ccccc1C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.39
▸ KDM4E B2RXH2 5/20 0.39
▸ HPGD P15428 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ MAPT P10636 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ SIRT1 Q96EB6 1/20 0.33
▸ METAP2 P50579 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KEAP1 Q14145 1/20 0.33
▸ NFE2L2 Q16236 1/20 0.33
▸ BCAT2 O15382 1/20 0.33
▸ CA1 P00915 2/20 0.32
▸ CA2 P00918 2/20 0.32
▸ CA9 Q16790 2/20 0.32
▸ PARP1 P09874 1/20 0.32
▸ AR P10275 1/20 0.32

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
SCHEMBL2921307 0.79 KDM4E (0.41) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL6738439 0.77 KDM4E (0.34) ALDH1A1KDM4EHPGDHSD17B10KEAP1
SCHEMBL5758861 0.76 KDM4E (0.39) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL27792324 0.73 KDM4E (0.45) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL2854688 0.73 KDM4E (0.50) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL11048336 0.73 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL6807035 0.72 SIRT1 (0.37) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL5759430 0.72 MEN1 (0.39) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL1018417 0.72 KDM4E (0.44) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL6800764 0.71 MEN1 (0.41) ALDH1A1KDM4EHPGDHSD17B10MAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6395897-B1 DRUGS FOR ENZYME INHIBITORS ANTICOAGULANTS AND TREATMENT OF AUTOIMMUNE DISEASE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-05-28 — — 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 ALDH1A1 1591/4885KDM4E 4231/4885HPGD 1552/4885
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV ALDH1A1 1591/4885KDM4E 4231/4885HPGD 1552/4885

“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.