SCHEMBL12374511

SCHEMBL12374511

CC1(C)OB(c2ccc(/C=C/CN[C@H](C(=O)OC3CCCC3)c3ccccc3)cc2)OC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HB P07237 1/20 0.44
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
MAPK14 Q16539 2/20 0.34
HIF1A Q16665 1/20 0.34
SLC6A3 Q01959 3/20 0.33
LPL P06858 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
DHFR P00374 1/20 0.33

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
SCHEMBL3274383 0.84 P4HB (0.53) P4HBLPLLIPGHDAC3HDAC4
SCHEMBL3274389 0.84 P4HB (0.53) P4HBLPLLIPGHDAC3HDAC4
SCHEMBL12374512 0.84 P4HB (0.39) P4HBHIF1A
SCHEMBL14204179 0.83 NPR3 (0.39) P4HBMMP2MMP9ANPEPLTA4H
SCHEMBL12374513 0.83 NPR3 (0.39) P4HBMMP2MMP9ANPEPLTA4H
SCHEMBL2282462 0.81 AAK1 (0.38) P4HBHIF1A
SCHEMBL2282459 0.81 AAK1 (0.38) P4HBHIF1A
SCHEMBL2286260 0.81 P4HB (0.36) P4HBMAPK14HIF1A
SCHEMBL2282455 0.81 AAK1 (0.38) P4HBHIF1A
SCHEMBL12374515 0.81 AAK1 (0.38) P4HBHIF1A

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 P4HB 2786/4885MMP2 3851/4885MMP9 3775/4885

“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.