SCHEMBL4859968

SCHEMBL4859968

CCC(O)CONC(=O)c1cc(F)c(F)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.39
MAP2K1 Q02750 11/20 0.39
MAP2K2 P36507 3/20 0.39
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
BRAF P15056 1/20 0.39
MAP2K5 Q13163 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
HDAC1 Q13547 3/20 0.37
HDAC6 Q9UBN7 3/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
MAOB P27338 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35

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
SCHEMBL4856514 0.86 CES2 (0.40) MAPK1MAP2K1MAP2K2CES2CES1
SCHEMBL4853536 0.85 TAS1R3 (0.44) MAPK1MAP2K1MAP2K2CES2CES1
SCHEMBL4861675 0.81 MAPT (0.44) MAPK1LMNA
SCHEMBL6291672 0.77 MAP2K1 (0.50) MAPK1MAP2K1MAP2K2CES2CES1
SCHEMBL4852683 0.76 HDAC1 (0.43) CES2CES1HDAC1HDAC6ALDH1A1
SCHEMBL6295970 0.75 MAPK1 (0.47) MAPK1MAP2K1MAP2K2CES2CES1
SCHEMBL4860610 0.74 CES2 (0.40) MAP2K1CES2CES1HDAC1HDAC6
SCHEMBL4857142 0.73 HDAC1 (0.41) MAP2K1MAP2K2CES2CES1HDAC1
SCHEMBL4863430 0.72 MAP2K1 (0.49) MAP2K1CES2CES1HDAC1HDAC6
SCHEMBL4861934 0.72 CES2 (0.38) CES2CES1HDAC1HDAC6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7411001-B2 Oxygenated esters of 4-iodo phenylamino benzhydroxamic acids WARNER-LAMBERT COMPANY (US) 2008-08-12 US disclosed
US-20050176820-A1 Oxygenated esters of 4-iodo phenylamino benzhydroxamic acids WARNER-LAMBERT COMPANY 2005-08-11 US 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-20050176820-A1 Oxygenated esters of 4-iodo phenylamino benzhydroxamic acids CYP4X1, CYP2A7, CYP4B1 MAPK1 4734/4885MAP2K1 4341/4885MAP2K2 4268/4885

“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.