SCHEMBL7222909

SCHEMBL7222909

CCOC(=O)C(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)N=C(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HB P07237 1/20 0.43
F11 P03951 4/20 0.41
F2 P00734 3/20 0.41
PRSS1 P07477 2/20 0.41
PRSS2 P07478 2/20 0.41
PRSS3 P35030 2/20 0.41
LIPG Q9Y5X9 7/20 0.40
LPL P06858 6/20 0.40
ESR2 Q92731 1/20 0.40
F10 P00742 1/20 0.39
UCHL1 P09936 1/20 0.38
AAK1 Q2M2I8 1/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
KMT2A Q03164 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
MMP8 P22894 1/20 0.36
KEAP1 Q14145 1/20 0.36

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
SCHEMBL28584476 0.81 PPARG (0.45) AAK1MEN1NPC1KMT2AMMP8
SCHEMBL7400423 0.79 CES2 (0.44) AAK1MEN1NPC1KMT2AMMP8
SCHEMBL5151578 0.79 CES2 (0.44) AAK1MEN1NPC1KMT2AMMP8
SCHEMBL5310601 0.78 AAK1 (0.46) AAK1MEN1NPC1KMT2AMMP8
SCHEMBL10173 0.77 LIPG (0.49) P4HBF11F2PRSS1PRSS2
SCHEMBL7222441 0.77 PPARG (0.43) AAK1MEN1NPC1KMT2AMMP8
SCHEMBL5149030 0.77 ACHE (0.42) AAK1MEN1NPC1KMT2AMMP8
SCHEMBL5311248 0.76 AAK1 (0.42) AAK1MEN1NPC1KMT2AMMP8
SCHEMBL5155457 0.76 ACHE (0.43) AAK1MEN1NPC1KMT2AMMP8
Diethanolamine SCHEMBL5155464 0.76 MMP8 (0.40) AAK1MEN1NPC1KMT2AMMP8

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-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
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 P4HB 102/4885F11 855/4885F2 590/4885

“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.