SCHEMBL1200148

SCHEMBL1200148

CC(C)(NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 2/20 0.44
LPL P06858 1/20 0.44
HIF1A Q16665 3/20 0.36
DGAT1 O75907 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CYP19A1 P11511 1/20 0.33
CACNA1B Q00975 1/20 0.32
USP30 Q70CQ3 1/20 0.32
TAAR1 Q96RJ0 2/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
GLA P06280 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
ROCK1 Q13464 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
SCHEMBL1199727 0.81 TAAR1 (0.44) CA2CYP19A1TAAR1GLA
SCHEMBL1134046 0.81 LIPG (0.42) LIPGLPLHIF1ADGAT1CYP19A1
SCHEMBL1199769 0.80 CA1 (0.41) LIPGLPLHIF1ADGAT1CA1
SCHEMBL2280780 0.79 LIPG (0.39) LIPGLPLHIF1ACACNA1BUSP30
SCHEMBL2280542 0.79 MAPK14 (0.47) LIPGLPLHIF1ACACNA1BUSP30
SCHEMBL2280778 0.79 LIPG (0.39) LIPGLPLHIF1ACACNA1BUSP30
SCHEMBL1199795 0.79 HIF1A (0.40) LIPGLPLHIF1ADGAT1CA1
SCHEMBL2282699 0.78 MAPK14 (0.45) LIPGLPLHIF1ACA1CACNA1B
SCHEMBL2282683 0.78 MAPK14 (0.45) LIPGLPLHIF1ACA1CACNA1B
SCHEMBL12374507 0.78 MAPK14 (0.45) LIPGLPL

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 3 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
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.