SCHEMBL3274043

SCHEMBL3274043

CC1(C)OB(c2cccc(CCN[C@H](C(=O)O)c3ccccc3)c2)OC1(C)C

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 3/20 0.50
LPL P06858 2/20 0.50
HAT1 O14929 7/20 0.41
EP300 Q09472 7/20 0.41
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
ULK1 O75385 1/20 0.38
ROCK1 Q13464 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
GRM8 O00222 1/20 0.36
GRM4 Q14833 1/20 0.36
KLKB1 P03952 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL12374507 0.84 MAPK14 (0.45) LIPGLPLHAT1EP300KMT2A
SCHEMBL2283542 0.82 LIPG (0.41) LIPGLPLEP300ROCK1CA1
SCHEMBL2145222 0.80 LIPG (0.58) LIPGLPLKMT2AMEN1CA1
SCHEMBL23071684 0.76 LIPG (0.70) LIPGLPL
SCHEMBL11341183 0.76 ULK1 (0.52) HAT1EP300KMT2AMEN1ULK1
SCHEMBL11341169 0.76 ULK1 (0.52) HAT1EP300KMT2AMEN1ULK1
SCHEMBL901322 0.76 LIPG (0.74) LIPGLPL
SCHEMBL16444822 0.75 LIPG (0.52) LIPGLPLKMT2AMEN1CA1
SCHEMBL16936864 0.73 LIPG (0.74) LIPGLPLROCK1
SCHEMBL108008 0.73 LIPG (0.57) LIPGLPLROCK1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087515-A1 IKK-BETA SERINE-THREONINE PROTEIN KINASE INHIBITORS Chroma Terapeutics Ltd (GB) 2010-04-08 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 (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-20100087515-A1 IKK-BETA SERINE-THREONINE PROTEIN KINASE INHIBITORS IRAK3, IKBKE, IRAK1 LIPG 3194/4885LPL 2733/4885HAT1 557/4885

“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.