Sugi Predict

Sugi Predict / Compounds / SCHEMBL6800764

SCHEMBL6800764

SCHEMBL6800764

N#C[CH]CC(=O)OCc1ccccc1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ ALDH1A1 P00352 8/20 0.39
▸ KDM4E B2RXH2 5/20 0.39
▸ TSHR P16473 2/20 0.36
▸ MAPT P10636 6/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ PARP1 P09874 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ GAA P10253 1/20 0.33

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
SCHEMBL6799918 0.88 ALDH1A1 (0.37) MEN1KMT2AALDH1A1KDM4ETSHR
SCHEMBL5759430 0.81 MEN1 (0.39) MEN1KMT2AALDH1A1KDM4ETSHR
SCHEMBL2921307 0.79 KDM4E (0.41) MEN1KMT2AALDH1A1KDM4ETSHR
SCHEMBL17491376 0.76 MEN1 (0.46) MEN1KMT2AALDH1A1KDM4ETSHR
SCHEMBL5758861 0.76 KDM4E (0.39) MEN1KMT2AALDH1A1KDM4ETSHR
SCHEMBL1694950 0.73 ALDH1A1 (0.52) MEN1KMT2AALDH1A1KDM4ETSHR
SCHEMBL6807035 0.72 SIRT1 (0.37) MEN1KMT2AALDH1A1KDM4ETSHR
SCHEMBL6807320 0.71 ALDH1A1 (0.39) MEN1KMT2AALDH1A1KDM4ETSHR
SCHEMBL8630755 0.71 MEN1 (0.36) MEN1KMT2AALDH1A1KDM4ETSHR
SCHEMBL112131 0.71 PPARG (0.58) KMT2AALDH1A1KDM4ETSHRMAPT

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 MEN1 2882/4885KMT2A 4408/4885ALDH1A1 1591/4885
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV MEN1 2882/4885KMT2A 4408/4885ALDH1A1 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.