SCHEMBL4333084

SCHEMBL4333084

CC(C(=O)Oc1ccc(CO[N+](=O)[O-])cc1)c1ccc(-c2ccccc2)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.52
AKR1C3 P42330 4/20 0.52
AKR1C2 P52895 4/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
PTGS2 P35354 3/20 0.52
LMNA P02545 3/20 0.52
CYP2C19 P33261 2/20 0.52
MAPT P10636 2/20 0.52
FABP2 P12104 1/20 0.52
TSHR P16473 1/20 0.52
AKR1C4 P17516 1/20 0.52
ADRA2B P18089 1/20 0.52
CHRM3 P20309 1/20 0.52
HTR2C P28335 1/20 0.52
DRD3 P35462 1/20 0.52
AKR1C1 Q04828 1/20 0.52
SLC22A6 Q4U2R8 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52

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
SCHEMBL5498892 0.90 FAAH (0.54) PTGS1AKR1C3AKR1C2MEN1KMT2A
SCHEMBL13704188 0.85 PTGS1 (0.61) PTGS1AKR1C3AKR1C2MEN1KMT2A
SCHEMBL13704427 0.84 PTGS1 (0.54) PTGS1AKR1C3AKR1C2MEN1KMT2A
SCHEMBL4330017 0.83 PTGS1 (0.58) PTGS1AKR1C3AKR1C2MEN1KMT2A
SCHEMBL4330203 0.83 PTGS1 (0.58) PTGS1AKR1C3AKR1C2MEN1KMT2A
SCHEMBL5319028 0.83 LMNA (0.67) PTGS1AKR1C3AKR1C2MEN1KMT2A
SCHEMBL5319034 0.83 LMNA (0.67) PTGS1AKR1C3AKR1C2MEN1KMT2A
SCHEMBL13704164 0.83 PTGS2 (0.70) PTGS1AKR1C3AKR1C2MEN1KMT2A
SCHEMBL13704171 0.82 AKR1C3 (0.50) PTGS1AKR1C3AKR1C2MEN1KMT2A
SCHEMBL5322794 0.81 CYP2C19 (0.71) PTGS1AKR1C3AKR1C2MEN1KMT2A

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
EP-1709155-B1 Compounds and compositions for treating dysproliferative diseases, and methods of use thereof CHESTERFORD ENTPR LTD (KY) 2013-10-02 EP disclosed
US-7585997-B2 Compounds and compositions for treating dysproliferative diseases, and methods of use thereof CHESTERFORD ENTERPRISES LIMITED (KY) 2009-09-08 US disclosed
US-7585997-B2 Compounds and compositions for treating dysproliferative diseases, and methods of use thereof CHESTERFORD ENTERPRISES LIMITED (KY) 2009-09-08 US disclosed
US-20050182134-A1 Compounds and compositions for treating dysproliferative diseases, and methods of use thereof CONVERSANT INTELLECTUAL PROPERTY MANAGEMENT INC. (CA) 2005-08-18 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-20050182134-A1 Compounds and compositions for treating dysproliferative diseases, and methods of use thereof PYGL, TP53, MKI67 PTGS1 327/4885AKR1C3 1147/4885AKR1C2 1069/4885

“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.