SCHEMBL6245341

SCHEMBL6245341

CCOC(=O)CNC(=O)C[O]

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.66
MGAM O43451 1/20 0.52
SI P14410 1/20 0.52
MGAM2 Q2M2H8 1/20 0.52
ALDH1A1 P00352 5/20 0.51
TSHR P16473 1/20 0.51
HPGD P15428 2/20 0.50
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
PPID Q08752 2/20 0.45
MAPT P10636 1/20 0.44
TRPA1 O75762 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
PPIB P23284 1/20 0.42
PPIA P62937 1/20 0.42
PPIG Q13427 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL6759954 0.85 GAA (0.63) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL5184954 0.84 GAA (0.68) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL3584747 0.84 GAA (0.68) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL6164664 0.83 GAA (0.66) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL3904057 0.81 GAA (0.63) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL2198462 0.81 GAA (0.63) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1892367 0.81 GAA (0.75) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL16556910 0.81 GAA (0.63) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL7247745 0.81 GAA (0.63) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL7830396 0.81 GAA (0.63) GAAMGAMSIMGAM2ALDH1A1

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-20050137220-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors PHARMACIA CORPORATION (US) 2005-06-23 US claimed
US-20050101623-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors PHARMACIA CORPORATION (US) 2005-05-12 US claimed
US-20050137220-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors PHARMACIA CORPORATION (US) 2005-06-23 US disclosed
US-20050101623-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors PHARMACIA CORPORATION (US) 2005-05-12 US disclosed
WO-2005009370-A2 BETA-CARBOLINE COMPOUNDS AND ANALOGUES THEREOF AND THEIR USE AS MITOGEN-ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITORS PHARMACIA CORPORATION (US) 2005-02-03 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-20050137220-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors MAPKAPK2, MAP4K2, MAP3K2 GAA 3083/4885MGAM 1497/4885SI 3613/4885
US-20050101623-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors MAP4K2, MAPKAPK2, MAP3K2 GAA 2928/4885MGAM 3406/4885SI 4578/4885

“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.