SCHEMBL4604157

SCHEMBL4604157

CCC(=O)Nc1ccc(CSc2ccccc2C(F)(F)F)cc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
KDM4E B2RXH2 3/20 0.46
PKM P14618 1/20 0.46
POLB P06746 2/20 0.43
GAA P10253 2/20 0.43
PTPRG P23470 1/20 0.42
LTC4S Q16873 1/20 0.41
DHODH Q02127 1/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.40
TAS2R14 Q9NYV8 1/20 0.40
PLK1 P53350 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
GRIK1 P39086 1/20 0.39
MEN1 O00255 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALOX5 P09917 1/20 0.39

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
SCHEMBL4605959 0.85 KDM4E (0.43) KDM4EPKMPOLBGAAPTPRG
SCHEMBL4605322 0.83 NR3C2 (0.47) AKR1C3AKR1C2KDM4EPKMPOLB
SCHEMBL4605316 0.83 AKR1C3 (0.46) AKR1C3AKR1C2KDM4EPKMPOLB
SCHEMBL4605278 0.81 KDM4E (0.51) KDM4EPKMPOLBGAAPTPRG
SCHEMBL4605839 0.80 RXRA (0.57) AKR1C3AKR1C2KDM4EPKMGAA
SCHEMBL4603804 0.79 KDM4E (0.46) KDM4EPKMPOLBPTPRGLTC4S
SCHEMBL5712901 0.78 AKR1C3 (0.56) AKR1C3AKR1C2KDM4EPOLBGAA
SCHEMBL4605252 0.78 KCNQ2 (0.44) KDM4EPKMGAAKMT2AALDH1A1
SCHEMBL4604606 0.77 NPBWR1 (0.45) KDM4EPKMGAAPTPRGKMT2A
SCHEMBL4605269 0.76 ALDH1A1 (0.47) KDM4EGAAKMT2AALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720825-B1 ANTHRANILIC ACID DERIVATIVES, METHODS FOR THEIR PREPARATION AND USE AS DHODH INHIBITORS ACTIVE BIOTECH AB (SE) 2008-07-09 EP 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 363/4885KDM4E 2898/4885

“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.