SCHEMBL5712901

SCHEMBL5712901

CCC(=O)Nc1ccc(Nc2ccccc2C(F)(F)F)cc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.56
AKR1C2 P52895 2/20 0.56
TAS2R14 Q9NYV8 6/20 0.54
POLB P06746 2/20 0.47
ALDH1A1 P00352 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 2/20 0.45
KMT2A Q03164 2/20 0.45
GRIK1 P39086 1/20 0.45
MEN1 O00255 1/20 0.45
THRB P10828 1/20 0.45
NOX1 Q9Y5S8 1/20 0.45
DHODH Q02127 1/20 0.44
MAPT P10636 1/20 0.44
MPO P05164 1/20 0.43

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
SCHEMBL6105882 0.85 GAA (0.56) AKR1C3AKR1C2TAS2R14POLBALDH1A1
SCHEMBL4606033 0.83 RORC (0.47) AKR1C3AKR1C2TAS2R14POLBALDH1A1
SCHEMBL4604582 0.81 MAOB (0.53) AKR1C3AKR1C2ALDH1A1RAB9AGAA
SCHEMBL4619861 0.80 KDM4E (0.47) AKR1C3AKR1C2ALDH1A1GAAKDM4E
SCHEMBL4605322 0.80 NR3C2 (0.47) AKR1C3AKR1C2POLBALDH1A1GAA
SCHEMBL4778269 0.79 POLB (0.65) POLBALDH1A1NPC1RAB9AGAA
Hydrochloric Acid SCHEMBL6559022 0.78 POLB (0.63) POLBALDH1A1NPC1RAB9AGAA
SCHEMBL4604157 0.78 AKR1C3 (0.47) AKR1C3AKR1C2TAS2R14POLBALDH1A1
SCHEMBL4605316 0.77 AKR1C3 (0.46) AKR1C3AKR1C2TAS2R14POLBALDH1A1
SCHEMBL4604527 0.76 FFAR1 (0.48) AKR1C3AKR1C2TAS2R14POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1914152-B New compounds, methods for their preparation and use thereof ACTIVE BIOTECH AB 2010-06-09 CN disclosed
CN-1914152-A New compounds, methods for their preparation and use thereof ACTIVE BIOTECH AB (SE) 2007-02-14 CN disclosed
EP-1720825-A1 NEW COMPOUNDS, METHODS FOR THEIR PREPARATION AND USE THEREOF Active Biotech AB (SE) 2006-11-15 EP disclosed
US-7074831-B2 Compounds, methods for their preparation and use thereof ACTIVE BIOTECH AB (SE) 2006-07-11 US disclosed
US-20050187297-A1 New compounds, methods for their preparation and use thereof ACTIVE BIOTECH AB (SE) 2005-08-25 US disclosed
WO-2005075410-A1 NEW COMPOUNDS, METHODS FOR THEIR PREPARATION AND USE THEREOF ACTIVE BIOTECH AB (SE) 2005-08-18 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-20050187297-A1 New compounds, methods for their preparation and use thereof MALT1, TPMT, FUCA1 AKR1C3 246/4885AKR1C2 363/4885TAS2R14 3993/4885

“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.