SCHEMBL2280784

SCHEMBL2280784

CC(C)C[C@H](NCCCOc1ccc(Br)cc1)C(=O)OC1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.49
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 4/20 0.47
NPR3 P17342 1/20 0.43
HRH3 Q9Y5N1 3/20 0.42
MMP2 P08253 2/20 0.42
MMP9 P14780 2/20 0.42
ANPEP P15144 2/20 0.42
LTA4H P09960 1/20 0.42
LAP3 P28838 1/20 0.42
NPEPPS P55786 1/20 0.42
ERAP2 Q6P179 1/20 0.42
ERAP1 Q9NZ08 1/20 0.42
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
CACNA1B Q00975 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL2280787 1.00 MAPK14 (0.49) MAPK14ALDH1A1KDM4ENPR3HRH3
SCHEMBL2278135 0.96 MAPK14 (0.53) MAPK14ALDH1A1KDM4ENPR3HRH3
SCHEMBL2278139 0.96 MAPK14 (0.53) MAPK14ALDH1A1KDM4ENPR3HRH3
SCHEMBL3345291 0.89 MAPK14 (0.49) MAPK14ALDH1A1KDM4ENPR3HRH3
SCHEMBL3345286 0.89 MAPK14 (0.49) MAPK14ALDH1A1KDM4ENPR3HRH3
SCHEMBL3345198 0.88 MAPK14 (0.48) MAPK14ALDH1A1KDM4ENPR3HRH3
SCHEMBL3345202 0.88 MAPK14 (0.48) MAPK14ALDH1A1KDM4ENPR3HRH3
SCHEMBL1411128 0.85 TAS1R3 (0.45) MAPK14MMP2MMP9ANPEPLTA4H
SCHEMBL1411131 0.85 TAS1R3 (0.45) MAPK14MMP2MMP9ANPEPLTA4H
SCHEMBL1411125 0.85 TAS1R3 (0.45) MAPK14MMP2MMP9ANPEPLTA4H

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
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-20100087515-A1 IKK-BETA SERINE-THREONINE PROTEIN KINASE INHIBITORS Chroma Terapeutics Ltd (GB) 2010-04-08 US disclosed
EP-2078007-A1 IKK-BETA SERINE-THREONINE PROTEIN KINASE INHIBITORS Chroma Therapeutics Limited (GB) 2009-07-15 EP 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 654/4885ALDH1A1 3041/4885KDM4E 2207/4885

“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.