SCHEMBL5470862

SCHEMBL5470862

O=C(O)COc1cc(F)c(N2CCOCC2)cc1C(=O)NCc1ccc(Br)cc1F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 7/20 0.61
AKR1A1 P14550 1/20 0.54
HDAC3 O15379 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
PDE4B Q07343 1/20 0.40
POLB P06746 2/20 0.40
SLC6A5 Q9Y345 1/20 0.39
AKR1B10 O60218 1/20 0.39
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
ALDH2 P05091 1/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL5463758 0.89 AKR1B1 (0.48) AKR1B1AKR1A1HDAC3HDAC1HDAC2
SCHEMBL5462201 0.88 HDAC3 (0.47) AKR1B1HDAC3HDAC1HDAC2HDAC8
SCHEMBL7063287 0.86 AKR1B1 (0.78) AKR1B1AKR1A1AKR1B10
SCHEMBL5456695 0.84 AKR1B1 (0.45) AKR1B1HDAC3HDAC1HDAC2HDAC8
SCHEMBL7066286 0.80 AKR1B1 (0.83) AKR1B1AKR1A1POLBAKR1B10
SCHEMBL5471131 0.80 AKR1B1 (0.72) AKR1B1AKR1A1AKR1B10
SCHEMBL7063354 0.78 AKR1B1 (0.82) AKR1B1AKR1A1AKR1B10
SCHEMBL7067029 0.78 AKR1B1 (0.82) AKR1B1AKR1A1AKR1B10
SCHEMBL5466057 0.77 AKR1B1 (0.66) AKR1B1HDAC3HDAC1HDAC2HDAC8
SCHEMBL5459444 0.77 AKR1B1 (0.77) AKR1B1AKR1A1AKR1B10

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 11 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-20070161631-A1 Substituted Phenoxyacetic Acids PHARMACIA & UPJOHN COMPANY 2007-07-12 US disclosed
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-7189749-B2 Substituted phenoxyacetic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY LLC (US) 2007-03-13 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
EP-1198451-A2 SUBSTITUTED PHENOXYACETIC ACIDS The Institutes for Pharmaceutical Discovery, LLC (US) 2002-04-24 EP disclosed
WO-2001000566-A2 SUBSTITUTED PHENOXYACETIC ACIDS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2001-01-04 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 (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 708/4885AKR1A1 791/4885HDAC3 1779/4885
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 173/4885AKR1A1 271/4885HDAC3 3466/4885
US-20030036558-A1 Substituted phenoxyacetic acids SLC5A2, GPR119, SLC5A1 AKR1B1 708/4885AKR1A1 791/4885HDAC3 1779/4885

“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.