SCHEMBL4861405

SCHEMBL4861405

O=C(NOCC1(CO)CC1)c1cccc(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
BCHE P06276 1/20 0.41
HSD11B1 P28845 1/20 0.40
P2RX7 Q99572 1/20 0.39
KAT6A Q92794 2/20 0.39
HPGD P15428 1/20 0.38
HDAC4 P56524 1/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
HTR7 P34969 1/20 0.35
HTR6 P50406 1/20 0.35
GAA P10253 1/20 0.34
MAP2K1 Q02750 6/20 0.34
MAP2K2 P36507 1/20 0.34
PTPN1 P18031 1/20 0.33
ERCC5 P28715 1/20 0.33
FEN1 P39748 1/20 0.33
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33

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
SCHEMBL29941199 0.77 MAP2K1 (0.52) CES2CES1BCHEKAT6AMAP2K1
SCHEMBL27534732 0.77 MAP2K1 (0.55) HDAC4MAP2K1MAP2K2
SCHEMBL6295923 0.75 MAP2K1 (0.55) CES2CES1BCHEKAT6AHDAC4
SCHEMBL27512652 0.75 MEN1 (0.52) HDAC4MAP2K1MAP2K2
SCHEMBL6292145 0.74 MAP2K1 (0.68) HDAC4MAP2K1MAP2K2
SCHEMBL6295965 0.73 CES2 (0.47) CES2CES1BCHEKAT6AHPGD
SCHEMBL6291612 0.73 MAP2K1 (0.71) HDAC4MAP2K1MAP2K2
SCHEMBL4862275 0.73 CES2 (0.41) CES2CES1BCHEHSD11B1P2RX7
SCHEMBL4853491 0.73 MAP2K1 (0.71) HDAC4MAP2K1MAP2K2
SCHEMBL6292139 0.73 MAP2K1 (0.71) HDAC4MAP2K1MAP2K2

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.