SCHEMBL5464176

SCHEMBL5464176

COc1ccc(C(=O)NCc2ccc(Br)cc2F)c(OCC(=O)O)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 7/20 0.76
AKR1A1 P14550 1/20 0.64
ALDH1A1 P00352 2/20 0.52
GAA P10253 2/20 0.52
HPGD P15428 2/20 0.52
PKM P14618 1/20 0.52
HTT P42858 1/20 0.52
MTNR1B P49286 1/20 0.48
AKR1B10 O60218 1/20 0.48
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
MMP2 P08253 1/20 0.47
MAPT P10636 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 1/20 0.46
TP53 P04637 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
TRPA1 O75762 1/20 0.44

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
SCHEMBL5466063 0.93 AKR1B1 (0.72) AKR1B1AKR1A1ALDH1A1GAAHPGD
SCHEMBL7062583 0.88 AKR1B1 (0.77) AKR1B1AKR1A1AKR1B10MMP2PTGDR2
SCHEMBL7067029 0.88 AKR1B1 (0.82) AKR1B1AKR1A1PKMAKR1B10MMP2
SCHEMBL5478676 0.88 AKR1B1 (0.60) AKR1B1AKR1A1ALDH1A1GAAHPGD
SCHEMBL5466266 0.86 AKR1B1 (1.00) AKR1B1AKR1A1ALDH1A1GAAAKR1B10
SCHEMBL7063287 0.86 AKR1B1 (0.78) AKR1B1AKR1A1PKMAKR1B10MMP2
SCHEMBL5469038 0.86 AKR1B1 (0.73) AKR1B1AKR1A1ALDH1A1GAAHPGD
SCHEMBL5464618 0.85 AKR1B1 (0.72) AKR1B1AKR1A1AKR1B10MMP2PTGDR2
SCHEMBL7065032 0.85 AKR1B1 (1.00) AKR1B1AKR1A1ALDH1A1HPGDHTT
SCHEMBL7066286 0.85 AKR1B1 (0.83) AKR1B1AKR1A1PKMAKR1B10MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030036558-A1 Substituted phenoxyacetic acids THE INSTITUTES OF PHARMACEUTICAL DISCOVERY LLC. 2003-02-20 US claimed
US-6420426-B1 USED TO TREAT COMPLICATIONS FROM DIABETES MELLITUS THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC 2002-07-16 US claimed
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 791/4885ALDH1A1 432/4885
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 271/4885ALDH1A1 224/4885
US-20030036558-A1 Substituted phenoxyacetic acids SLC5A2, GPR119, SLC5A1 AKR1B1 708/4885AKR1A1 791/4885ALDH1A1 432/4885

“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.