SCHEMBL7066286

SCHEMBL7066286

O=C(O)COc1ccc(Br)cc1C(=O)NCc1ccc(Br)cc1F

nearest known ligand 0.83

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 7/20 0.83
AKR1A1 P14550 1/20 0.65
PTGDR2 Q9Y5Y4 7/20 0.55
AKR1B10 O60218 1/20 0.46
PKM P14618 1/20 0.45
MMP2 P08253 1/20 0.45
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
P2RX7 Q99572 1/20 0.43
LRRK2 Q5S007 1/20 0.43

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
SCHEMBL7063354 0.94 AKR1B1 (0.82) AKR1B1AKR1A1PTGDR2AKR1B10PKM
SCHEMBL5459444 0.93 AKR1B1 (0.77) AKR1B1AKR1A1PTGDR2AKR1B10MMP2
SCHEMBL7067035 0.92 AKR1B1 (0.75) AKR1B1AKR1A1PTGDR2AKR1B10MMP2
SCHEMBL7065285 0.92 AKR1B1 (0.84) AKR1B1AKR1A1PTGDR2AKR1B10TSHR
SCHEMBL5462608 0.92 AKR1B1 (0.75) AKR1B1AKR1A1PTGDR2AKR1B10PKM
SCHEMBL7063287 0.92 AKR1B1 (0.78) AKR1B1AKR1A1PTGDR2AKR1B10PKM
SCHEMBL7065032 0.91 AKR1B1 (1.00) AKR1B1AKR1A1PTGDR2AKR1B10L3MBTL1
SCHEMBL5466063 0.90 AKR1B1 (0.72) AKR1B1AKR1A1PTGDR2PKMMMP2
SCHEMBL7064157 0.90 AKR1B1 (0.72) AKR1B1AKR1A1PTGDR2
SCHEMBL5466139 0.89 AKR1B1 (0.70) AKR1B1AKR1A1PTGDR2POLB

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-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 708/4885AKR1A1 791/4885PTGDR2 281/4885
US-20030036558-A1 Substituted phenoxyacetic acids SLC5A2, GPR119, SLC5A1 AKR1B1 708/4885AKR1A1 791/4885PTGDR2 281/4885

“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.