SCHEMBL2286208

SCHEMBL2286208

O=C(OC1CCCC1)[C@@H](NCc1cccc(B(O)O)c1)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.47
ITGB3 P05106 1/20 0.38
ITGB1 P05556 1/20 0.38
ITGAV P06756 1/20 0.38
ITGA5 P08648 1/20 0.38
PSMB5 P28074 2/20 0.38
CXCR1 P25024 2/20 0.37
CXCR2 P25025 2/20 0.37
ENPP2 Q13822 1/20 0.36
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
POLB P06746 1/20 0.35
F2 P00734 1/20 0.35
PRSS1 P07477 1/20 0.35
MMP13 P45452 1/20 0.35
CXCR4 P61073 1/20 0.34
ALDH1A1 P00352 1/20 0.34
FAAH O00519 1/20 0.34
MGLL Q99685 1/20 0.34
TYR P14679 1/20 0.34

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) EPHX1PSMB5CXCR1CXCR2ENPP2
SCHEMBL2282080 0.83 EPHX1 (0.43) EPHX1PSMB5CXCR1CXCR2ENPP2
SCHEMBL2279040 0.82 MEN1 (0.54) EPHX1PSMB5F2PRSS1TYR
SCHEMBL2281258 0.81 EPHX1 (0.41) EPHX1PSMB5PSMB8
SCHEMBL2281260 0.81 EPHX1 (0.41) EPHX1PSMB5PSMB8
SCHEMBL8202193 0.79 TPSAB1 (0.50) EPHX1ITGB3ITGB1ITGAVITGA5
SCHEMBL27784579 0.79 TPSAB1 (0.50) EPHX1ITGB3ITGB1ITGAVITGA5
SCHEMBL2283105 0.79 PSMB5 (0.41) EPHX1PSMB5PSMB8CYP19A1MEN1
SCHEMBL12374502 0.79 PSMB5 (0.41) EPHX1PSMB5PSMB8CYP19A1MEN1
SCHEMBL2283112 0.79 PSMB5 (0.41) EPHX1PSMB5PSMB8CYP19A1MEN1

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 8 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
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 EPHX1 1605/4885ITGB3 2210/4885ITGB1 2104/4885

“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.