SCHEMBL12374513

SCHEMBL12374513

CC(C)C[C@@H](NC/C=C/c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)OC1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPR3 P17342 1/20 0.39
P4HB P07237 1/20 0.38
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35
ANPEP P15144 2/20 0.35
LTA4H P09960 1/20 0.35
LAP3 P28838 1/20 0.35
NPEPPS P55786 1/20 0.35
ERAP2 Q6P179 1/20 0.35
ERAP1 Q9NZ08 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
HIF1A Q16665 1/20 0.35
NOS3 P29474 3/20 0.34
NOS1 P29475 3/20 0.34
NOS2 P35228 3/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
MAPK14 Q16539 3/20 0.34
MAPK13 O15264 1/20 0.34
MAPK12 P53778 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
SCHEMBL14204179 1.00 NPR3 (0.39) NPR3P4HBMMP2MMP9ANPEP
SCHEMBL2340287 0.91 NPR3 (0.38) NPR3P4HBMMP2MMP9ANPEP
SCHEMBL2340296 0.91 NPR3 (0.38) NPR3P4HBMMP2MMP9ANPEP
SCHEMBL2340290 0.91 NPR3 (0.38) NPR3P4HBMMP2MMP9ANPEP
SCHEMBL2286260 0.87 P4HB (0.36) P4HBAAK1HIF1AMAPK14
SCHEMBL2286273 0.87 P4HB (0.36) P4HBAAK1HIF1AMAPK14
SCHEMBL12374512 0.84 P4HB (0.39) P4HBAAK1HIF1ACYP19A1
SCHEMBL2282459 0.83 AAK1 (0.38) P4HBAAK1HIF1ACYP19A1
SCHEMBL2282455 0.83 AAK1 (0.38) P4HBAAK1HIF1ACYP19A1
SCHEMBL2282462 0.83 AAK1 (0.38) P4HBAAK1HIF1ACYP19A1

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
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 NPR3 378/4885P4HB 2786/4885MMP2 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.