SCHEMBL7059964

SCHEMBL7059964

O=C(O)COc1cc(Cl)ccc1C(=O)NCc1ccc(Br)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 10/20 1.00
AKR1B10 O60218 1/20 0.73
AKR1C3 P42330 1/20 0.50
HPGD P15428 3/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KMT2A Q03164 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPT P10636 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
PTGER4 P35408 1/20 0.47
TSHR P16473 1/20 0.46

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
SCHEMBL7064934 0.93 AKR1B1 (0.86) AKR1B1AKR1B10AKR1C3HPGDALDH1A1
SCHEMBL5470955 0.89 AKR1B1 (0.80) AKR1B1AKR1B10AKR1C3HPGDALDH1A1
SCHEMBL7063273 0.87 AKR1B1 (0.77) AKR1B1AKR1B10AKR1C3HPGDALDH1A1
SCHEMBL7065043 0.86 AKR1B1 (0.75) AKR1B1AKR1B10AKR1C3HPGDALDH1A1
SCHEMBL31403414 0.84 AKR1B1 (1.00) AKR1B1AKR1B10AKR1C3MAPTTDP1
SCHEMBL7063237 0.84 AKR1B1 (0.72) AKR1B1AKR1B10AKR1C3HPGDALDH1A1
SCHEMBL14447219 0.83 AKR1B1 (0.71) AKR1B1AKR1B10AKR1C3L3MBTL1MAPT
SCHEMBL5466266 0.83 AKR1B1 (1.00) AKR1B1AKR1B10ALDH1A1GAAKMT2A
SCHEMBL7064945 0.81 AKR1B1 (0.69) AKR1B1AKR1B10AKR1C3HTTMAPT
SCHEMBL7066939 0.81 AKR1B1 (0.71) AKR1B1AKR1B10AKR1C3HPGDALDH1A1

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 10 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
JP-2003503381-A 2003-01-28 JP claimed
US-6420426-B1 USED TO TREAT COMPLICATIONS FROM DIABETES MELLITUS THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC 2002-07-16 US claimed
EP-1198451-A2 SUBSTITUTED PHENOXYACETIC ACIDS The Institutes for Pharmaceutical Discovery, LLC (US) 2002-04-24 EP claimed
WO-2001000566-A2 SUBSTITUTED PHENOXYACETIC ACIDS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2001-01-04 WO 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-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-20030036558-A1 Substituted phenoxyacetic acids THE INSTITUTES OF PHARMACEUTICAL DISCOVERY LLC. 2003-02-20 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 (2 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 708/4885AKR1B10 1623/4885AKR1C3 401/4885
US-20030036558-A1 Substituted phenoxyacetic acids SLC5A2, GPR119, SLC5A1 AKR1B1 708/4885AKR1B10 1623/4885AKR1C3 401/4885

“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.