SCHEMBL2279040

SCHEMBL2279040

O=C(OC1CCCC1)[C@@H](NCc1cccc(B(O)O)c1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
MMP2 P08253 2/20 0.44
MMP9 P14780 2/20 0.44
ANPEP P15144 2/20 0.44
LTA4H P09960 1/20 0.44
LAP3 P28838 1/20 0.44
NPEPPS P55786 1/20 0.44
ERAP2 Q6P179 1/20 0.44
ERAP1 Q9NZ08 1/20 0.44
MEP1B Q16820 2/20 0.42
EPHX1 P07099 1/20 0.42
MAPK14 Q16539 2/20 0.41
F2 P00734 1/20 0.39
PRSS1 P07477 1/20 0.39
TYR P14679 1/20 0.38
PSMB5 P28074 2/20 0.37

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
SCHEMBL1147395 0.84 EPHX1 (0.44) MEN1KMT2AMEP1BEPHX1F2
SCHEMBL2282080 0.82 EPHX1 (0.43) MEN1KMT2AMEP1BEPHX1MAPK14
SCHEMBL2286208 0.82 EPHX1 (0.47) MEN1KMT2AEPHX1F2PRSS1
SCHEMBL1491605 0.81 MEN1 (0.55) MEN1KMT2AMMP2MMP9ANPEP
SCHEMBL1491603 0.81 MEN1 (0.55) MEN1KMT2AMMP2MMP9ANPEP
SCHEMBL8203230 0.81 MEN1 (0.50) MEN1KMT2AMMP2MMP9ANPEP
SCHEMBL27784577 0.81 MEN1 (0.50) MEN1KMT2AMMP2MMP9ANPEP
SCHEMBL2281258 0.80 EPHX1 (0.41) MMP2MMP9ANPEPLTA4HLAP3
SCHEMBL2281260 0.80 EPHX1 (0.41) MMP2MMP9ANPEPLTA4HLAP3
SCHEMBL2283105 0.78 PSMB5 (0.41) MEN1KMT2AMEP1BEPHX1PSMB5

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
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-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
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 MEN1 3031/4885KMT2A 1635/4885MMP2 3851/4885

“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.