Sugi Predict

Sugi Predict / Compounds / SCHEMBL6795829

SCHEMBL6795829

SCHEMBL6795829

N#CC(C(N)=O)c1ccc(O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 10/20 0.52
▸ ESR2 Q92731 10/20 0.52
▸ ALDH1A1 P00352 3/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ACHE P22303 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CA2 P00918 2/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA3 P07451 1/20 0.37
▸ CA6 P23280 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ CA14 Q9ULX7 1/20 0.37
▸ PDCD1 Q15116 1/20 0.37
▸ CD274 Q9NZQ7 1/20 0.37
▸ TAAR1 Q96RJ0 2/20 0.36

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
SCHEMBL6802464 0.82 HDAC4 (0.44) ALDH1A1MEN1CYP1A2CYP3A4CYP2C9
SCHEMBL2928841 0.82 PARP15 (0.43) CA2CA12CA3CA6CA9
SCHEMBL18172114 0.82 MEN1 (0.47) ALDH1A1MEN1CYP1A2CYP2C19KMT2A
SCHEMBL2926595 0.82 PARP15 (0.43) CA2CA12CA3CA6CA9
SCHEMBL21383218 0.82 LMNA (0.51) ALDH1A1KMT2ASMN1; SMN2
SCHEMBL2927032 0.82 TSHR (0.48) ALDH1A1CYP1A2CYP2C19SMN1; SMN2TSHR
SCHEMBL12532009 0.82 ESR1 (0.54) ESR1ESR2ALDH1A1MEN1CYP1A2
SCHEMBL2771881 0.82 TSHR (0.48) ALDH1A1CYP1A2CYP2C19SMN1; SMN2TSHR
SCHEMBL11255814 0.80 TSHR (0.47) ALDH1A1CYP1A2CYP2C19SMN1; SMN2TSHR
SCHEMBL3661241 0.79 PTGS2 (0.46) ALDH1A1CYP1A2CYP3A4TSHR

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 ESR1 4421/4885ESR2 2233/4885ALDH1A1 1591/4885
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV ESR1 4421/4885ESR2 2233/4885ALDH1A1 1591/4885

“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.