SCHEMBL4854776

SCHEMBL4854776

CC(CO)ONC(=O)c1cccc(F)c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.45
CES1 P23141 2/20 0.45
BCHE P06276 1/20 0.45
PSMB5 P28074 1/20 0.42
KAT6A Q92794 2/20 0.41
POLB P06746 1/20 0.40
P2RX7 Q99572 1/20 0.39
GAA P10253 1/20 0.38
ITGB2 P05107 1/20 0.37
ICAM1 P05362 1/20 0.37
ITGAL P20701 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
TRPV3 Q8NET8 1/20 0.37
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RPS6KB1 P23443 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
SCHEMBL6295321 0.87 CES2 (0.43) CES2CES1POLBTRPV3
SCHEMBL4861411 0.79 CES2 (0.41) CES2CES1BCHEKAT6AP2RX7
SCHEMBL6291256 0.77 CES2 (0.45) CES2CES1BCHEPSMB5KAT6A
SCHEMBL12877749 0.77 CES2 (0.55) CES2CES1BCHEPSMB5KAT6A
SCHEMBL27218132 0.77 CES2 (0.55) CES2CES1BCHEKAT6AGAA
SCHEMBL15296599 0.76 LOXL2 (0.45) POLBMEN1KMT2A
SCHEMBL27496436 0.76 MAP2K1 (0.54)
SCHEMBL29941199 0.75 MAP2K1 (0.52) CES2CES1BCHEKAT6A
SCHEMBL4864181 0.75 CES2 (0.40) CES2CES1TRPV3
SCHEMBL2646708 0.74 CES2 (0.61) CES2CES1BCHEKAT6AP2RX7

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-7411001-B2 Oxygenated esters of 4-iodo phenylamino benzhydroxamic acids WARNER-LAMBERT COMPANY (US) 2008-08-12 US disclosed
US-6960614-B2 Oxygenated esters of 4-lodo phenylamino benzhydroxamic acids WARNER-LAMBERT COMPANY (US) 2005-11-01 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.