SCHEMBL4606531

SCHEMBL4606531

O=C(CNc1cccc(C(=O)O)c1)COc1ccccc1Nc1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.52
AKR1C3 P42330 1/20 0.49
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MITF O75030 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
PAX8 Q06710 1/20 0.46
KLF5 Q13887 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
DAPK1 P53355 1/20 0.45
PIM3 Q86V86 1/20 0.45
FFAR1 O14842 1/20 0.43
CDC25B P30305 3/20 0.43
CDC25A P30304 1/20 0.42
CDC25C P30307 1/20 0.42

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
SCHEMBL4604968 0.94 AKR1C3 (0.54) PPARAAKR1C3NPC1RAB9AMITF
SCHEMBL4604349 0.84 AKR1C3 (0.52) PPARAAKR1C3NPC1RAB9AMITF
SCHEMBL4603689 0.84 SMN1; SMN2 (0.53) AKR1C3NPC1RAB9AMITFNFKB1
SCHEMBL4606890 0.83 RAB9A (0.61) AKR1C3NPC1RAB9AMITFNFKB1
SCHEMBL4605138 0.79 L3MBTL1 (0.54) PPARAAKR1C3NPC1RAB9AMITF
SCHEMBL4603675 0.79 AKR1C3 (0.54) PPARAAKR1C3NPC1RAB9AMITF
SCHEMBL4603654 0.74 AKR1C3 (0.48) PPARAAKR1C3NPC1RAB9AMITF
SCHEMBL4606307 0.74 AKR1C3 (0.48) PPARAAKR1C3NPC1RAB9AMITF
SCHEMBL2424568 0.73 AKR1C3 (0.69) PPARAAKR1C3NPC1RAB9ACDC25B
SCHEMBL5160414 0.72 AKR1C3 (0.61) PPARAAKR1C3NPC1RAB9AMITF

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 PPARA 1297/4885AKR1C3 246/4885NPC1 2040/4885

“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.