SCHEMBL6095455

SCHEMBL6095455

COc1ccc(C(CC(=O)O)N2Cc3ccccc3C2=O)cc1OC(C)C

nearest known ligand 0.86

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
TNF P01375 1/20 0.60
TP53 P04637 2/20 0.58
MAPT P10636 2/20 0.58
PDE4A P27815 2/20 0.55
PDE4B Q07343 2/20 0.55
PDE4C Q08493 2/20 0.55
PDE4D Q08499 2/20 0.55

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
SCHEMBL4445016 0.93 TNF (0.69) MEN1KMT2ATNFTP53MAPT
SCHEMBL5941294 0.93 TNF (0.69) MEN1KMT2ATNFTP53MAPT
SCHEMBL6703914 0.93 TNF (0.69) MEN1KMT2ATNFTP53MAPT
SCHEMBL6095692 0.90 KMT2A (0.63) MEN1KMT2ATP53MAPT
SCHEMBL825454 0.88 PDE4A (0.71) MEN1KMT2ATNFTP53MAPT
SCHEMBL6099978 0.88 PDE4A (0.71) MEN1KMT2ATNFTP53MAPT
SCHEMBL8436473 0.87 PDE4A (0.70) MEN1KMT2ATNFTP53MAPT
SCHEMBL8436482 0.87 PDE4A (0.70) MEN1KMT2ATNFTP53MAPT
SCHEMBL825998 0.87 MEN1 (0.61) MEN1KMT2ATNFTP53MAPT
SCHEMBL825966 0.86 MEN1 (0.60) MEN1KMT2ATNFTP53MAPT

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-7091356-B2 Substituted alkanohydroxamic acids and method of reducing TNFα levels CELGENE CORPORATION 2006-08-15 US disclosed
US-20040006096-A1 Substituted alkanohydroxamic acids and method of reducing TNFalpha levels CELGENE CORPORATION 2004-01-08 US disclosed
US-6656964-B2 Reducing levels of tumor necrosis factor alpha; inhibition of undesireable levels of matrix metalloproteinases CELGENE CORPORATION 2003-12-02 US disclosed
EP-1035848-B1 SUBSTITUTED ALKANOHYDROXAMIC ACIDS AND METHOD OF REDUCING TNF-ALPHA LEVELS CELGENE CORP (US) 2003-04-23 EP disclosed
US-20010049371-A1 Method of inhibiting phosphodiesterases with substituted alkanohydroxamic acids CALGENE CORPORATION 2001-12-06 US disclosed
US-6214857-B1 REDUCES TUMOR NECROSIS FACTOR LEVELS CELGENE CORPORATION 2001-04-10 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-20040006096-A1 Substituted alkanohydroxamic acids and method of reducing TNFalpha levels TNF, TNFRSF1A, LTA MEN1 4505/4885KMT2A 748/4885TNF 1/4885
US-20010049371-A1 Method of inhibiting phosphodiesterases with substituted alkanohydroxamic acids PDE3A, PDE2A, PDE3B MEN1 4191/4885KMT2A 1390/4885TNF 8/4885

“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.