SCHEMBL4851679

SCHEMBL4851679

O=C(NOCC(O)C(F)(F)F)c1cccc(F)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.44
CES1 P23141 2/20 0.44
BCHE P06276 1/20 0.44
MAP2K1 Q02750 5/20 0.42
MAP2K2 P36507 4/20 0.42
MAPK1 P28482 2/20 0.42
BRAF P15056 1/20 0.42
MAP2K5 Q13163 1/20 0.42
KAT6A Q92794 2/20 0.40
PSMB5 P28074 1/20 0.37
ADRB2 P07550 4/20 0.37
ADRB1 P08588 4/20 0.37
ADRB3 P13945 4/20 0.37
ITGB2 P05107 1/20 0.37
ICAM1 P05362 1/20 0.37
ITGAL P20701 1/20 0.37
P2RX1 P51575 1/20 0.36
P2RX7 Q99572 1/20 0.36
CTSS P25774 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL6291256 0.84 CES2 (0.45) CES2CES1BCHEMAP2K1MAP2K2
SCHEMBL6295970 0.83 MAPK1 (0.47) CES2CES1BCHEMAP2K1MAP2K2
SCHEMBL4861283 0.81 MAPK1 (0.47) CES2CES1BCHEMAP2K1MAP2K2
SCHEMBL4862035 0.79 KAT6A (0.45) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL29941199 0.77 MAP2K1 (0.52) CES2CES1BCHEMAP2K1MAP2K2
SCHEMBL4862965 0.76 CES2 (0.45) CES2CES1BCHEMAP2K1KAT6A
SCHEMBL6295965 0.75 CES2 (0.47) CES2CES1BCHEMAP2K1MAP2K2
SCHEMBL6295923 0.74 MAP2K1 (0.55) CES2CES1BCHEMAP2K1MAP2K2
SCHEMBL2646708 0.73 CES2 (0.61) CES2CES1BCHEKAT6AITGB2
SCHEMBL19279484 0.73 CES2 (0.52) CES2CES1BCHEKAT6AHPGD

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 CES2 240/4885CES1 182/4885BCHE 318/4885

“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.