SCHEMBL12374502

SCHEMBL12374502

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

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 8/20 0.41
EPHX1 P07099 1/20 0.40
CACNA1B Q00975 4/20 0.38
PSMB8 P28062 3/20 0.34
CYP19A1 P11511 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MEP1B Q16820 2/20 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
SCHEMBL2283112 1.00 PSMB5 (0.41) PSMB5EPHX1CACNA1BPSMB8CYP19A1
SCHEMBL2283105 1.00 PSMB5 (0.41) PSMB5EPHX1CACNA1BPSMB8CYP19A1
SCHEMBL2282080 0.90 EPHX1 (0.43) PSMB5EPHX1CACNA1BPSMB8CYP19A1
SCHEMBL1147395 0.85 EPHX1 (0.44) PSMB5EPHX1PSMB8CYP19A1MEN1
SCHEMBL2278384 0.83 PSMB5 (0.42) PSMB5EPHX1CACNA1BPSMB8MEN1
SCHEMBL2281258 0.82 EPHX1 (0.41) PSMB5EPHX1PSMB8
SCHEMBL2281260 0.82 EPHX1 (0.41) PSMB5EPHX1PSMB8
SCHEMBL12448821 0.82 EPHX1 (0.38) PSMB5EPHX1CACNA1BCYP19A1
SCHEMBL2286208 0.79 EPHX1 (0.47) PSMB5EPHX1PSMB8CYP19A1MEN1
SCHEMBL2279040 0.78 MEN1 (0.54) PSMB5EPHX1MEN1KMT2AMEP1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 PSMB5 580/4885EPHX1 1605/4885CACNA1B 2269/4885

“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.