SCHEMBL2790847

SCHEMBL2790847

COC(=O)c1ccc(C(O)CNCC(=O)OCc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ ALDH1A1 P00352 8/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ CYP3A4 P08684 9/20 0.47
▸ TSHR P16473 4/20 0.47
▸ LMNA P02545 1/20 0.46
▸ PKM P14618 2/20 0.46
▸ SLC6A2 P23975 1/20 0.46
▸ SLC6A3 Q01959 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ HPGD P15428 1/20 0.44
▸ MAPK1 P28482 1/20 0.44

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
SCHEMBL2792007 0.87 MAPT (0.55) MAPTRAB9AALDH1A1SMN1; SMN2CYP3A4
SCHEMBL2791696 0.82 MAPT (0.50) MAPTRAB9AALDH1A1SMN1; SMN2CYP3A4
SCHEMBL2790538 0.80 MAPT (0.50) MAPTRAB9AALDH1A1SMN1; SMN2CYP3A4
SCHEMBL18465773 0.79 MAPT (0.50) MAPTRAB9AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL1428309 0.79 CA1 (0.56) MAPTRAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL10832273 0.78 ALDH1A1 (0.50) MAPTRAB9AALDH1A1SMN1; SMN2CYP3A4
SCHEMBL8050669 0.77 ALDH1A1 (0.53) MAPTRAB9AALDH1A1CYP3A4PKM
SCHEMBL2790849 0.77 CYP3A4 (0.51) MAPTRAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL17738932 0.77 MAPT (0.49) MAPTRAB9AALDH1A1CYP3A4SLC6A2
SCHEMBL23493014 0.77 SLC7A5 (0.52) MAPTRAB9AALDH1A1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190788-A1 Amide derivatives as kinase inhitors DEVGEN N.V. (BE) 2010-07-29 — — US disclosed
US-20100168102-A9 Amide Derivatives as Kinase Inhibitors DEVGEN NV (BE) 2010-07-01 — — US disclosed
US-20090118283-A1 Amide Derivatives as Kinase Inhibitors DEVGEN NV (BE) 2009-05-07 — — US disclosed
EP-1907361-A1 AMIDE DERIVATIVES AS KINASE INHIBITORS Devgen N.V. (BE) 2008-04-09 — — EP disclosed
EP-1907362-A1 AMIDE DERIVATIVES AS KINASE INHIBITORS Devgen NV (BE) 2008-04-09 — — EP disclosed
WO-2007006547-A1 AMIDE DERIVATIVES AS KINASE INHIBITORS DEVGEN N.V. (BE) 2007-01-18 — — WO disclosed
WO-2007006546-A1 AMIDE DERIVATIVES AS KINASE INHIBITORS DEVGEN N.V. (BE) 2007-01-18 — — 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 (3 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-20100168102-A9 Amide Derivatives as Kinase Inhibitors MAP3K1, CDK1, CDK2 MAPT 335/4885RAB9A 2781/4885ALDH1A1 2175/4885
US-20100190788-A1 Amide derivatives as kinase inhitors MAP3K1, MAPK1, MAP3K21 MAPT 200/4885RAB9A 1331/4885ALDH1A1 2260/4885
US-20090118283-A1 Amide Derivatives as Kinase Inhibitors MAP3K1, CDK1, CDK2 MAPT 335/4885RAB9A 2781/4885ALDH1A1 2175/4885

“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.

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