Sugi Predict

Sugi Predict / Compounds / SCHEMBL6802553

SCHEMBL6802553

SCHEMBL6802553

N#C[CH]C[S+]([O-])Cc1ccccc1C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT1 Q96EB6 1/20 0.36
▸ ALDH1A1 P00352 5/20 0.34
▸ KDM4E B2RXH2 5/20 0.34
▸ MAPT P10636 5/20 0.34
▸ HPGD P15428 3/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ LMNA P02545 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ METAP2 P50579 1/20 0.33
▸ MEN1 O00255 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ BCAT2 O15382 1/20 0.32
▸ NR1I2 O75469 1/20 0.31
▸ CHRM2 P08172 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ ADRA2A P08913 1/20 0.31
▸ OPRK1 P41145 1/20 0.31

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 0.77 KDM4E (0.41) SIRT1ALDH1A1KDM4EMAPTHPGD
SCHEMBL4193735 0.76 KDM4E (0.40) SIRT1ALDH1A1KDM4EMAPTHPGD
SCHEMBL5758861 0.75 KDM4E (0.39) SIRT1ALDH1A1KDM4EMAPTHPGD
SCHEMBL5759430 0.71 MEN1 (0.39) SIRT1ALDH1A1KDM4EMAPTHPGD
SCHEMBL6807035 0.71 SIRT1 (0.37) SIRT1ALDH1A1KDM4EMAPTHPGD
SCHEMBL6800764 0.70 MEN1 (0.41) SIRT1ALDH1A1KDM4EMAPTHPGD
SCHEMBL6807320 0.70 ALDH1A1 (0.39) SIRT1ALDH1A1KDM4EMAPTHPGD
SCHEMBL2863807 0.69 BCAT2 (0.46) SIRT1ALDH1A1KDM4EMAPTHPGD
SCHEMBL6799918 0.68 ALDH1A1 (0.37) SIRT1ALDH1A1KDM4EMAPTHPGD
SCHEMBL6799994 0.67 KMT2A (0.37) ALDH1A1KDM4EMAPTHPGDHSD17B10

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 SIRT1 620/4885ALDH1A1 1591/4885KDM4E 4231/4885
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV SIRT1 620/4885ALDH1A1 1591/4885KDM4E 4231/4885

“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.