SCHEMBL6807325

SCHEMBL6807325

O=C(c1ccccc1)c1ccc(C[C@H](NC(=O)N2CCOCC2)C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.61
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 2/20 0.54
MEN1 O00255 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HPGD P15428 1/20 0.54
CTSS P25774 3/20 0.54
CTSL P07711 2/20 0.53
CTSB P07858 1/20 0.51
GFER P55789 1/20 0.48
TACR2 P21452 2/20 0.48
PPARG P37231 1/20 0.47
ITGB1 P05556 1/20 0.47
ITGA4 P13612 1/20 0.47
ITGB7 P26010 1/20 0.47

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
SCHEMBL5193787 0.90 POLB (0.74) POLBKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL7275964 0.90 POLB (0.74) POLBKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL6795468 0.89 POLB (0.65) POLBKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL6368020 0.85 POLB (0.60) POLBKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL6368016 0.85 POLB (0.60) POLBKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL7607635 0.84 POLB (0.66) POLBKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL7388508 0.83 CTSS (0.74) CTSSCTSLCTSB
SCHEMBL23489726 0.83 CTSL (0.62) POLBKMT2AALDH1A1CTSSCTSL
SCHEMBL2781510 0.82 POLB (0.57) POLBKMT2ACTSSCTSLCTSB
SCHEMBL6803415 0.81 BLM (0.56) POLBKMT2AALDH1A1SMN1; SMN2HPGD

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 POLB 1578/4885KMT2A 4408/4885ALDH1A1 1591/4885
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV POLB 1578/4885KMT2A 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.