SCHEMBL7229443

SCHEMBL7229443

CCC(C)C(Br)C(=O)NC1(C(=O)O)CCCC1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MME P08473 2/20 0.32
ACE P12821 2/20 0.32
CPA1 P15085 2/20 0.32
ACE2 Q9BYF1 2/20 0.32
CTSL P07711 1/20 0.32
CXCR2 P25025 1/20 0.31
PYGL P06737 5/20 0.31
CYP2C9 P11712 1/20 0.31
FABP4 P15090 3/20 0.30
FABP5 Q01469 3/20 0.30

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
SCHEMBL1403838 0.83 PYGL (0.33) CNR2ALDH1A1CXCR2PYGLCYP2C9
SCHEMBL3365638 0.83 PYGL (0.33) CNR2ALDH1A1CXCR2PYGLCYP2C9
SCHEMBL1403840 0.83 PYGL (0.33) CNR2ALDH1A1CXCR2PYGLCYP2C9
SCHEMBL10062004 0.80 MME (0.36) CNR2ALDH1A1MMECXCR2FABP4
SCHEMBL5101577 0.74 ALDH1A1 (0.36) CNR2ALDH1A1CXCR2PYGLCYP2C9
SCHEMBL9752273 0.73 CYP1A2 (0.35) ALDH1A1CXCR2PYGLCYP2C9FABP4
SCHEMBL11603247 0.72 MME (0.41) MMEACEACE2
SCHEMBL10877742 0.72 MME (0.36) CNR2ALDH1A1MMEACECXCR2
SCHEMBL4416357 0.70 ECE1 (0.45) ALDH1A1MMEFABP4FABP5
SCHEMBL4416349 0.70 ECE1 (0.45) ALDH1A1MMEFABP4FABP5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CNR2 3513/4885ALDH1A1 139/4885MME 33/4885

“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.