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SCHEMBL6802740

SCHEMBL6802740

O=C(O)CC[C@H](NC(=O)N1CCOCC1)C(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ CTSS P25774 10/20 0.50
▸ FOLH1 Q04609 1/20 0.50
▸ CTSL P07711 3/20 0.47
▸ CTSB P07858 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ GFER P55789 1/20 0.47
▸ P2RY12 Q9H244 1/20 0.46

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
SCHEMBL7266820 0.87 POLB (0.61) MEN1KMT2ANPSR1CTSSCTSL
SCHEMBL27325266 0.87 POLB (0.61) MEN1KMT2ANPSR1CTSSCTSL
SCHEMBL9960942 0.84 SIRT2 (0.49) MEN1KMT2ANPSR1FOLH1CTSL
SCHEMBL29400872 0.83 ITGB3 (0.58) MEN1KMT2ANPSR1
SCHEMBL6444697 0.79 CTSS (0.59) MEN1KMT2ANPSR1CTSSCTSL
SCHEMBL13687946 0.78 ITGB3 (0.49) MEN1KMT2ANPSR1CTSL
SCHEMBL10058277 0.78 ITGB3 (0.49) MEN1KMT2ANPSR1CTSL
SCHEMBL19390152 0.78 ITGB3 (0.49) MEN1KMT2ANPSR1CTSL
SCHEMBL2921260 0.78 FOLH1 (0.59) CTSSFOLH1CTSLCTSB
SCHEMBL7624700 0.78 FOLH1 (0.59) CTSSFOLH1CTSLCTSB

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 7 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
EP-1159273-A1 COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CATHEPSIN S BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2001-12-05 — — EP disclosed
WO-2000051998-A1 COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CATHEPSIN S BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-09-08 — — WO 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 4408/4885NPSR1 1275/4885
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV MEN1 2882/4885KMT2A 4408/4885NPSR1 1275/4885

“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.