SCHEMBL4255678

SCHEMBL4255678

COC(=O)C1(NC(=O)C(Br)C(C)C)CCCC1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPSR1 Q6W5P4 1/20 0.37
HTT P42858 1/20 0.36
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32

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
SCHEMBL4255673 1.00 MAPT (0.45) MAPTALDH1A1L3MBTL1NPSR1HTT
SCHEMBL1403840 0.83 PYGL (0.33) ALDH1A1HTT
SCHEMBL1403838 0.83 PYGL (0.33) ALDH1A1HTT
SCHEMBL3365638 0.83 PYGL (0.33) ALDH1A1HTT
SCHEMBL12156594 0.82 MAPT (0.50) MAPTALDH1A1L3MBTL1NPSR1CYP4F2
SCHEMBL17208367 0.74 MAPT (0.41) MAPTALDH1A1L3MBTL1NPSR1CYP4F2
SCHEMBL12870395 0.72 MAPT (0.46) MAPTALDH1A1L3MBTL1NPSR1CYP4F2
SCHEMBL27831272 0.71 MAPT (0.57) MAPTALDH1A1L3MBTL1NPSR1HTT
SCHEMBL12870428 0.71 MAPT (0.49) MAPTALDH1A1L3MBTL1NPSR1CYP4F2
SCHEMBL1838961 0.70 GRM7 (0.43) MAPTALDH1A1L3MBTL1

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
WO-2009135526-A1 ALPHA-MERCAPTO-AMIDES NOVARTIS AG (CH) 2009-11-12 WO disclosed
US-6613782-B2 For treating and/or preventing endothelin dependent conditions, e.g. cardio- and cerebro-vascular disorders such as hypertension, vasoconstriction, congestive heart failure, cerebral disorders, respiratory system disorders NOVARTIS AG (CH) 2003-09-02 US disclosed
US-6423727-B1 Certain thiol inhibitors of endothelin-converting enzyme NOVARTIS AG (CH) 2002-07-23 US disclosed
US-20020082218-A1 Certain thiol inhibitors of endothelin-converting enzyme LOMBAERT STEPHANE DE (US) 2002-06-27 US disclosed
CN-1297453-A thiol endothelin converting enzyme inhibitors NOVARTIS AG (CH) 2001-05-30 CN disclosed
EP-1073674-A1 THIOL INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME Novartis AG (CH) 2001-02-07 EP disclosed
WO-1999055726-A1 CERTAIN THIOL INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME NOVARTIS AG (CH) 1999-11-04 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 (1 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-20020082218-A1 Certain thiol inhibitors of endothelin-converting enzyme ECE1, ECE2, EDNRB MAPT 3794/4885ALDH1A1 139/4885L3MBTL1 3288/4885

“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.