SCHEMBL5483642

SCHEMBL5483642

CCOC(=O)COc1ccc(OC(F)(F)F)cc1C(=O)NCc1cccc([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.52
KCNB1 Q14721 2/20 0.52
PPARD Q03181 2/20 0.46
PPARA Q07869 2/20 0.46
PPARG P37231 1/20 0.46
POLB P06746 1/20 0.46
AKR1C3 P42330 1/20 0.44
MAPK14 Q16539 1/20 0.43
KCNA5 P22460 1/20 0.42
KCNH2 Q12809 1/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
TP53 P04637 1/20 0.41
CASP3 P42574 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
MET P08581 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL5470857 0.89 AKR1B1 (0.66) AKR1B1KCNB1PPARDPPARAPPARG
SCHEMBL5464669 0.84 AKR1B1 (0.62) AKR1B1AKR1C3KMT2AMEN1MAPT
SCHEMBL5466485 0.83 AKR1B1 (0.64) AKR1B1POLBAKR1C3KMT2AMEN1
SCHEMBL5467797 0.81 AKR1B1 (0.80) AKR1B1AKR1C3KMT2AMEN1MAPT
SCHEMBL5462218 0.80 AKR1B1 (0.70) AKR1B1KCNB1PPARDPPARAPPARG
SCHEMBL5468356 0.77 AKR1B1 (0.78) AKR1B1POLBKMT2AMEN1MAPT
SCHEMBL7059967 0.76 AKR1B1 (0.69) AKR1B1AKR1C3KMT2AMEN1MAPT
SCHEMBL5469126 0.76 AKR1B1 (0.61) AKR1B1POLBKMT2AMEN1MAPT
SCHEMBL5467890 0.76 AKR1B1 (0.63) AKR1B1POLBKMT2AMEN1MAPT
SCHEMBL7610342 0.76 AKR1B1 (0.54) AKR1B1PPARDPPARAPPARGPOLB

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
US-20070161631-A1 Substituted Phenoxyacetic Acids PHARMACIA & UPJOHN COMPANY 2007-07-12 US disclosed
US-7189749-B2 Substituted phenoxyacetic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY LLC (US) 2007-03-13 US disclosed
US-20050239849-A1 Useful for therapy of chronic complications arising from diabetes, such as neuropathy; may also contain an angiotensin converting enzyme inhibitor THE INSTITUTES OF PHARMACEUTICAL DISCOVERY LLC. (US) 2005-10-27 US disclosed
US-20030036558-A1 Substituted phenoxyacetic acids THE INSTITUTES OF PHARMACEUTICAL DISCOVERY LLC. 2003-02-20 US disclosed
US-6420426-B1 USED TO TREAT COMPLICATIONS FROM DIABETES MELLITUS THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC 2002-07-16 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 (3 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-20070161631-A1 Substituted Phenoxyacetic Acids SLC5A2, GPR119, SLC5A1 AKR1B1 708/4885KCNB1 1861/4885PPARD 127/4885
US-20050239849-A1 Useful for therapy of chronic complications arising from diabetes, such as neuropathy; may also contain an angiotensin converting enzyme inhibitor ACE, DNPEP, AGT AKR1B1 173/4885KCNB1 2252/4885PPARD 1130/4885
US-20030036558-A1 Substituted phenoxyacetic acids SLC5A2, GPR119, SLC5A1 AKR1B1 708/4885KCNB1 1861/4885PPARD 127/4885

“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.