SCHEMBL5522983

SCHEMBL5522983

CCOC=C(C(=O)OCC)C(=O)c1cc(F)c(F)c(OC(F)(F)Cl)c1F

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 2/20 0.34
CYP1A2 P05177 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HPGD P15428 1/20 0.32
KDM4E B2RXH2 2/20 0.31
MAPK1 P28482 1/20 0.31
GPR35 Q9HC97 1/20 0.31
POLB P06746 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL14417305 1.00 NPSR1 (0.34) NPSR1MEN1KMT2ALMNACYP1A2
SCHEMBL5527416 0.91 NPSR1 (0.36) NPSR1MEN1KMT2ALMNACYP1A2
SCHEMBL14417304 0.91 NPSR1 (0.36) NPSR1MEN1KMT2ALMNACYP1A2
SCHEMBL9142948 0.85 MEN1 (0.38) NPSR1MEN1KMT2ALMNACYP1A2
SCHEMBL9095927 0.85 MEN1 (0.38) NPSR1MEN1KMT2ALMNACYP1A2
SCHEMBL9095923 0.85 MEN1 (0.38) NPSR1MEN1KMT2ALMNACYP1A2
SCHEMBL7054034 0.82 MEN1 (0.41) NPSR1MEN1KMT2ALMNACYP1A2
SCHEMBL5528820 0.82 MEN1 (0.41) NPSR1MEN1KMT2ALMNACYP1A2
SCHEMBL29733864 0.82 MEN1 (0.41) NPSR1MEN1KMT2ALMNACYP1A2
SCHEMBL7176844 0.82 MEN1 (0.41) NPSR1MEN1KMT2ALMNACYP1A2

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-20070213339-A1 Quinolone Carboxylic Acid Derivatives for Treatment of Hyperproliferative Conditions BAYER PHARMACEUTICALS CORPORATION (US) 2007-09-13 US disclosed
EP-1732897-A1 QUINOLONE CARBOXYLIC ACID DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE CONDITIONS Bayer Pharmaceuticals Corporation (US) 2006-12-20 EP disclosed
WO-2005097752-A1 QUINOLONE CARBOXYLIC ACID DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE CONDITIONS BAYER PHARMACEUTICALS CORPORATION (US) 2005-10-20 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-20070213339-A1 Quinolone Carboxylic Acid Derivatives for Treatment of Hyperproliferative Conditions TP53, RB1, HRAS NPSR1 4427/4885MEN1 1653/4885KMT2A 2389/4885

“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.