SCHEMBL5470909

SCHEMBL5470909

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

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 5/20 0.62
AKR1A1 P14550 1/20 0.49
PTGDR2 Q9Y5Y4 2/20 0.46
HPGD P15428 2/20 0.45
P2RX7 Q99572 2/20 0.44
POLB P06746 1/20 0.41
PABPC1 P11940 1/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
PDE10A Q9Y233 1/20 0.40
MMP2 P08253 1/20 0.40
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL5462450 0.94 AKR1B1 (0.58) AKR1B1AKR1A1PTGDR2HPGDP2RX7
SCHEMBL5462441 0.93 AKR1B1 (0.59) AKR1B1AKR1A1PTGDR2HPGDP2RX7
SCHEMBL5462438 0.91 AKR1B1 (0.57) AKR1B1AKR1A1PTGDR2HPGDP2RX7
SCHEMBL5466256 0.89 AKR1B1 (0.62) AKR1B1AKR1A1HPGDP2RX7POLB
SCHEMBL5464578 0.88 AKR1B1 (0.52) AKR1B1AKR1A1PTGDR2HPGDP2RX7
SCHEMBL5478676 0.87 AKR1B1 (0.60) AKR1B1AKR1A1HPGDP2RX7POLB
SCHEMBL5465135 0.87 AKR1B1 (0.77) AKR1B1AKR1A1HPGDP2RX7POLB
SCHEMBL7066286 0.85 AKR1B1 (0.83) AKR1B1AKR1A1PTGDR2P2RX7POLB
SCHEMBL5463642 0.85 AKR1B1 (0.58) AKR1B1AKR1A1HPGDP2RX7POLB
SCHEMBL5459473 0.85 AKR1B1 (0.57) AKR1B1AKR1A1HPGDP2RX7POLB

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 7 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
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 791/4885PTGDR2 281/4885
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 271/4885PTGDR2 315/4885
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.