SCHEMBL12374507

SCHEMBL12374507

CC1(C)OB(c2cccc(CCN[C@H](C(=O)OC3CCCC3)c3ccccc3)c2)OC1(C)C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.45
LIPG Q9Y5X9 2/20 0.41
LPL P06858 1/20 0.41
MMP2 P08253 2/20 0.41
MMP9 P14780 2/20 0.41
ANPEP P15144 2/20 0.41
LTA4H P09960 1/20 0.41
LAP3 P28838 1/20 0.41
NPEPPS P55786 1/20 0.41
ERAP2 Q6P179 1/20 0.41
ERAP1 Q9NZ08 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HAT1 O14929 3/20 0.39
EP300 Q09472 3/20 0.39

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
SCHEMBL2282699 0.84 MAPK14 (0.45) MAPK14LIPGLPLMMP2MMP9
SCHEMBL2282683 0.84 MAPK14 (0.45) MAPK14LIPGLPLMMP2MMP9
SCHEMBL3274043 0.84 LIPG (0.50) LIPGLPLMEN1KMT2AHAT1
SCHEMBL2280542 0.82 MAPK14 (0.47) MAPK14LIPGLPLMEN1KMT2A
SCHEMBL2280778 0.82 LIPG (0.39) MAPK14LIPGLPL
SCHEMBL2280780 0.82 LIPG (0.39) MAPK14LIPGLPL
SCHEMBL2283542 0.79 LIPG (0.41) LIPGLPLEP300
SCHEMBL1200148 0.78 LIPG (0.44) LIPGLPL
SCHEMBL12374511 0.77 P4HB (0.44) MAPK14LIPGLPLMMP2MMP9
SCHEMBL2276180 0.72 MAPK14 (0.45) MAPK14LIPGLPLMMP2MMP9

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
EP-2078007-B1 IKK-BETA SERINE-THREONINE PROTEIN KINASE INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2011-08-31 EP disclosed
US-8003695-B2 IKK-beta serine-threonine protein kinase inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-08-23 US disclosed
US-8003695-B2 IKK-beta serine-threonine protein kinase inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-08-23 US disclosed
US-20100087515-A1 IKK-BETA SERINE-THREONINE PROTEIN KINASE INHIBITORS Chroma Terapeutics Ltd (GB) 2010-04-08 US disclosed
US-20100087515-A1 IKK-BETA SERINE-THREONINE PROTEIN KINASE INHIBITORS Chroma Terapeutics Ltd (GB) 2010-04-08 US disclosed
WO-2008053182-A1 IKK-β SERINE-THREONINE PROTEIN KINASE INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2008-05-08 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 (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 MAPK14 654/4885LIPG 3194/4885LPL 2733/4885

“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.