SCHEMBL5740566

SCHEMBL5740566

O=C(O)C(C(=O)O)c1cccc(Br)c1F

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.39
CES2 O00748 3/20 0.35
CES1 P23141 3/20 0.35
HTT P42858 2/20 0.33
PRNP P04156 1/20 0.32
BCHE P06276 1/20 0.31
CYP1A2 P05177 1/20 0.31
NOTUM Q6P988 1/20 0.31
KAT6A Q92794 1/20 0.30
CYP2D6 P10635 1/20 0.30
GAA P10253 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL18512243 0.83 CES2 (0.45) CES2CES1HTTPRNPKMT2A
SCHEMBL26669676 0.83 CES2 (0.45) CES2CES1HTTPRNPKMT2A
SCHEMBL30967948 0.81 PTGS2 (0.44) CES2CES1HTTCYP1A2MEN1
SCHEMBL29237654 0.81 PTGS2 (0.44) CES2CES1HTTCYP1A2MEN1
SCHEMBL29041207 0.78 KAT6A (0.32) CES2CES1KAT6A
SCHEMBL27631956 0.76 MMP8 (0.44) HTTCYP1A2KAT6AMEN1KMT2A
SCHEMBL27821004 0.76 HTT (0.38) CES2CES1HTTBCHECYP1A2
SCHEMBL22051464 0.75 CES2 (0.35) CES2CES1CYP1A2GAA
SCHEMBL5452247 0.74 IDO1 (0.49) SRCNOTUMKAT6AGAA
SCHEMBL30967888 0.74 HTT (0.37) CES2CES1HTTBCHECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1805930-A Hydroxamic acids useful in the treatment of hyper-proliferative disorders BAYER PHARMACEUTICALS CORP (US) 2006-07-19 CN disclosed
US-20060063760-A1 Hydroxamic acids useful in the treatment of hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2006-03-23 US disclosed
EP-1620397-A1 HYDROXAMIC ACIDS USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE DISORDERS Bayer Pharmaceuticals Corporation (US) 2006-02-01 EP disclosed
WO-2004094376-A1 HYDROXAMIC ACIDS USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2004-11-04 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-20060063760-A1 Hydroxamic acids useful in the treatment of hyper-proliferative disorders MKI67, PCNA, CCNA1 SRC 3463/4885CES2 3439/4885CES1 3276/4885

“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.