SCHEMBL1134046

SCHEMBL1134046

CCC(CC)(NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 2/20 0.42
LPL P06858 1/20 0.42
HIF1A Q16665 5/20 0.36
DGAT1 O75907 1/20 0.32
F2 P00734 1/20 0.32
PRSS1 P07477 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
ALDH1A1 P00352 1/20 0.31
ROCK1 Q13464 1/20 0.31
HDAC4 P56524 1/20 0.31
MEF2D Q14814 1/20 0.31
CYP19A1 P11511 1/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31

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
SCHEMBL1133987 0.81 LMNA (0.39)
SCHEMBL1200148 0.81 LIPG (0.44) LIPGLPLHIF1ADGAT1PRMT5
SCHEMBL1199795 0.77 HIF1A (0.40) LIPGLPLHIF1ADGAT1F2
SCHEMBL1199769 0.76 CA1 (0.41) LIPGLPLHIF1ADGAT1F2
SCHEMBL13667940 0.76 CYP19A1 (0.32) ALDH1A1HDAC4MEF2DCYP19A1
SCHEMBL552268 0.74 ALDH1A1 (0.51) LIPGLPLALDH1A1
SCHEMBL2282683 0.72 MAPK14 (0.45) LIPGLPLHIF1A
SCHEMBL2282699 0.72 MAPK14 (0.45) LIPGLPLHIF1A
SCHEMBL2280780 0.72 LIPG (0.39) LIPGLPLHIF1A
SCHEMBL2280542 0.72 MAPK14 (0.47) LIPGLPLHIF1APRMT5WDR77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110046210-A1 SUBSTITUTED THIOPENECARBOXAMIDES AS IKK-BETA SERINE-, THREONINE-PROTEIN KINASE INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2011-02-24 US disclosed
US-20110046210-A1 SUBSTITUTED THIOPENECARBOXAMIDES AS IKK-BETA SERINE-, THREONINE-PROTEIN KINASE INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2011-02-24 US disclosed
US-20110046210-A1 SUBSTITUTED THIOPENECARBOXAMIDES AS IKK-BETA SERINE-, THREONINE-PROTEIN KINASE INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2011-02-24 US disclosed
EP-2285797-A1 SUBSTITUTED THIOPHENECARBOXAMIDES AS IKK-BETA SERINE-, THREONINE-PROTEIN KINASE INHIBITORS Chroma Therapeutics Ltd. (GB) 2011-02-23 EP disclosed
WO-2009130475-A1 SUBSTITUTED THIOPHENECARBOXAMIDES AS IKK-BETA SERINE-, THREONINE-PROTEIN KINASE INHIBITORS CHROMA THERAPEUTICS LTD., (GB) 2009-10-29 WO disclosed
WO-2009130475-A1 SUBSTITUTED THIOPHENECARBOXAMIDES AS IKK-BETA SERINE-, THREONINE-PROTEIN KINASE INHIBITORS CHROMA THERAPEUTICS LTD., (GB) 2009-10-29 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-20110046210-A1 SUBSTITUTED THIOPENECARBOXAMIDES AS IKK-BETA SERINE-, THREONINE-PROTEIN KINASE INHIBITORS IKBKE, CSNK1A1, CSNK1E LIPG 2385/4885LPL 2464/4885HIF1A 3543/4885

“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.