SCHEMBL3523757

SCHEMBL3523757

CCOc1cc(C(CCNC(=O)OC(C)(C)C)N2Cc3cccc([N+](=O)[O-])c3C2=O)ccc1OC

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 3/20 0.47
TNF P01375 1/20 0.46
TP53 P04637 1/20 0.41
PDE4A P27815 9/20 0.41
PDE4B Q07343 9/20 0.41
PDE4C Q08493 9/20 0.41
PDE4D Q08499 9/20 0.41
HTR2B P41595 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL1828170 0.89 UTS2R (0.50) UTS2RTNFTP53PDE4APDE4B
SCHEMBL1826156 0.86 TNF (0.48) TNFTP53PDE4APDE4BPDE4C
SCHEMBL1826154 0.86 TNF (0.48) TNFTP53PDE4APDE4BPDE4C
SCHEMBL8313746 0.85 TNF (0.42) TNFTP53PDE4APDE4BPDE4C
SCHEMBL3523754 0.85 TNF (0.43) TNFTP53PDE4APDE4BPDE4C
SCHEMBL3531499 0.85 TNF (0.43) TNFTP53PDE4APDE4BPDE4C
SCHEMBL1826871 0.85 TNF (0.41) TNFTP53PDE4APDE4BPDE4C
SCHEMBL3528756 0.84 UTS2R (0.45) UTS2RTP53PDE4APDE4BPDE4C
SCHEMBL27942400 0.83 TNF (0.45) TNFTP53PDE4APDE4BPDE4C
SCHEMBL1826872 0.81 TNF (0.40) TNFTP53PDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076369-B2 N-alkyl-hydroxamic acid-isoindolyl compounds and their pharmaceutical uses CELGENE CORPORATION (US) 2011-12-13 US claimed
US-7662847-B2 Myelodysplastic syndrome, Parkinson*s disease, multiple sclerosis, AIDS, chronic obstructive pulmonary disease, acquired respiratory distress; analgesics, angiogenesis inhibitors; anticarcinogenic and antitumor agents; phopshodiesterase, tumor necrosis factor and matrix metalloproteinase inhibitors CELGENE CORPORATION (US) 2010-02-16 US claimed
US-7662847-B2 Myelodysplastic syndrome, Parkinson*s disease, multiple sclerosis, AIDS, chronic obstructive pulmonary disease, acquired respiratory distress; analgesics, angiogenesis inhibitors; anticarcinogenic and antitumor agents; phopshodiesterase, tumor necrosis factor and matrix metalloproteinase inhibitors CELGENE CORPORATION (US) 2010-02-16 US disclosed
EP-1606256-A2 N-ALKYL-HYDROXAMIC ACID-ISOINDOLYL COMPOUNDS AND THEIR PHARMACEUTICAL USES CELGENE CORPORATION (US) 2005-12-21 EP disclosed
US-20050203090-A1 Methods of using N-alkyl-hydroxamic acid-isoindolyl compounds AMGEN INC. 2005-09-15 US disclosed
US-6911464-B2 N-alkyl-hydroxamic acid-isoindolyl compounds and their pharmaceutical uses CELGENE CORPORATION (US) 2005-06-28 US disclosed
US-20040259873-A1 N-alkyl-hydroxamic acid-isoindolyl compounds and their pharmaceutical uses AMGEN INC. 2004-12-23 US disclosed
WO-2004080422-A2 N-ALKYL-HYDROXAMIC ACID-ISOINDOLYL COMPOUNDS AND THEIR PHARMACEUTICAL USES CELGENE CORPORATION (US) 2004-09-23 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-20040259873-A1 N-alkyl-hydroxamic acid-isoindolyl compounds and their pharmaceutical uses PDE4A, PDE12, PDE4B UTS2R 2721/4885TNF 2494/4885TP53 4063/4885
US-20050203090-A1 Methods of using N-alkyl-hydroxamic acid-isoindolyl compounds PDE4A, PDE4B, PDE7A UTS2R 2624/4885TNF 2208/4885TP53 3844/4885

“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.