SCHEMBL5126112

SCHEMBL5126112

CC(C)(C)CC(OC(=O)Oc1ccc([N+](=O)[O-])cc1)C(=O)N1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.52
▸ CTSS P25774 1/20 0.47
▸ CTSK P43235 1/20 0.47
▸ RAB9A P51151 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ AKR1C3 P42330 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ PHGDH O43175 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ PAX8 Q06710 1/20 0.40

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
SCHEMBL5126103 1.00 MAPT (0.52) MAPTCTSSCTSKRAB9APOLB
SCHEMBL14139306 0.86 MAPT (0.52) MAPTRAB9APOLBAKR1C3KDM4E
SCHEMBL2162724 0.81 CTSS (0.48) MAPTCTSSCTSKRAB9APOLB
SCHEMBL12196232 0.81 MAPT (0.47) MAPTRAB9APOLBAKR1C3SMN1; SMN2
SCHEMBL2162730 0.81 CTSS (0.48) MAPTCTSSCTSKRAB9APOLB
SCHEMBL12196254 0.81 CTSS (0.48) MAPTCTSSCTSKRAB9APOLB
SCHEMBL2162752 0.78 MAPT (0.46) MAPTCTSSRAB9APOLBHTT
SCHEMBL2162758 0.78 MAPT (0.46) MAPTCTSSRAB9APOLBHTT
SCHEMBL12400766 0.76 MAPT (0.42) MAPTRAB9APOLB
SCHEMBL27672213 0.75 MAPT (0.48) MAPTRAB9APOLBAKR1C3PHGDH

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080021025-A1 INHIBITORS OF CATHEPSIN S LIU HONG 2008-01-24 — — US disclosed
US-7297714-B2 Selective in presence of at least one other cathepsin isozyme; such as (3-cyclopentyl-{[5-(3-fluoro-phenyl)-furan-2-carbonyl]-amino}-propionylamino)-4-oxo-butyric acid IRM LLC (BM) 2007-11-20 — — US disclosed
US-20050130959-A1 Inhibitors of cathepsin S IRM LLC (BM) 2005-06-16 — — 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-20080021025-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ MAPT 1757/4885CTSS 1/4885CTSK 9/4885
US-20050130959-A1 Inhibitors of cathepsin S CTSS, CTSB, CTSZ MAPT 1757/4885CTSS 1/4885CTSK 9/4885

“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.

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