SCHEMBL844210

SCHEMBL844210

CN(C(=O)F)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
CA14 Q9ULX7 1/20 0.35
DGAT1 O75907 1/20 0.33
HSD11B1 P28845 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
SCHEMBL8737769 0.85 HDAC6 (0.39) HDAC6HDAC1HDAC2CA14DGAT1
SCHEMBL28676568 0.83 HDAC6 (0.36) HDAC6HDAC1HDAC2CA14DGAT1
SCHEMBL8098483 0.78 HDAC6 (0.40) HDAC6HDAC1HDAC2CA14DGAT1
SCHEMBL9873641 0.78 HDAC6 (0.36) HDAC6HDAC1HDAC2CA14DGAT1
SCHEMBL24689325 0.77 HDAC6 (0.33) HDAC6HDAC1HDAC2CA14DGAT1
SCHEMBL3126231 0.76 DGAT1 (0.38) HDAC6HDAC1HDAC2CA14DGAT1
SCHEMBL23452708 0.76 DGAT1 (0.43) HDAC6HDAC1HDAC2CA14DGAT1
SCHEMBL26691369 0.76 CA14 (0.30) HDAC6HDAC1HDAC2CA14
SCHEMBL432112 0.75 HDAC6 (0.37) HDAC6HDAC1HDAC2CA14DGAT1
SCHEMBL25503461 0.75 HDAC6 (0.37) HDAC6HDAC1HDAC2CA14DGAT1

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
EP-2188276-B1 SUBSTITUTED HYDANTOINS HOFFMANN LA ROCHE (CH) 2012-03-28 EP disclosed
US-7557221-B2 Substituted hydantoins HOFFMAN-LA ROCHE INC. (US) 2009-07-07 US disclosed
US-20090048452-A1 (R)-5-[4-(2-Hydroxy-ethoxy)-phenyl]-3-[(S)-1-(6-iodo-1H-benzoimidazol-2-yl)-2-phenyl-ethyl]-imidazolidine-2,4-dione; map kinase inhibitors; antihyperproliferative agents CHEN SHAOQING 2009-02-19 US disclosed
US-7045360-B2 Method for analysis of reaction products PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2006-05-16 US disclosed
US-20020090728-A1 Method for analysis of reaction products PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2002-07-11 US disclosed
WO-2001057526-A1 METHOD FOR ANALYSIS OF REACTION PRODUCTS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2001-08-09 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-20090048452-A1 (R)-5-[4-(2-Hydroxy-ethoxy)-phenyl]-3-[(S)-1-(6-iodo-1H-benzoimidazol-2-yl)-2-phenyl-ethyl]-imidazolidine-2,4-dione; map kinase inhibitors; antihyperproliferative agents MAPK1, MAP3K2, MAP3K1 HDAC6 3003/4885HDAC1 1039/4885HDAC2 1307/4885

“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.