SCHEMBL4872028

SCHEMBL4872028

O=C(O)CCc1ccc(F)cc1O

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.60
FFAR1 O14842 8/20 0.47
FFAR4 Q5NUL3 6/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CA3 P07451 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
LTB4R Q15722 1/20 0.43
LTB4R2 Q9NPC1 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
SCHEMBL10603384 0.89 POLB (0.51) POLBFFAR1FFAR4NPSR1LTB4R
SCHEMBL27647753 0.86 CA3 (0.45) POLBCA3CA6CA5ACA9
SCHEMBL30637597 0.85 FFAR1 (0.59) POLBFFAR1FFAR4NPSR1
SCHEMBL2397247 0.85 FFAR1 (0.59) POLBFFAR1FFAR4NPSR1
Hydrochloric Acid SCHEMBL30461911 0.83 FFAR1 (0.58) POLBFFAR1FFAR4NPSR1
SCHEMBL29998634 0.82 POLB (0.67) POLB
SCHEMBL490491 0.82 POLB (0.67) POLB
SCHEMBL2395772 0.82 TSHR (0.54) POLBCA3CA6CA5ACA9
SCHEMBL29782739 0.81 FFAR1 (0.51) POLBFFAR1FFAR4NPSR1
SCHEMBL8361456 0.81 FFAR1 (0.51) POLBFFAR1FFAR4NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104829576-A Preparation method of 7-fluoropyran derivatives Hunan huateng pharmaceutical co ltd 2015-08-12 CN disclosed
EP-1765768-B1 SUBSTITUTED ACIDS FOR THE TREATMENT OF RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2013-11-06 EP disclosed
CN-102557971-A Substituted acids for the treatment of respiratory diseases ASTRAZENECA AB 2012-07-11 CN disclosed
CN-101014564-B Substituted acids for the treatment of respiratory diseases ASTRAZENECA AB 2012-05-09 CN disclosed
US-20080114002-A1 Substituted Acids for the Treatment of Respiratory Diseases ASTRAZENECA AB (SE) 2008-05-15 US disclosed
CN-101014564-A Substituted acids for the treatment of respiratory diseases ASTRAZENECA AB (SE) 2007-08-08 CN disclosed
EP-1765768-A1 SUBSTITUTED ACIDS FOR THE TREATMENT OF RESPIRATORY DISEASES AstraZeneca AB (SE) 2007-03-28 EP disclosed
WO-2006005909-A1 SUBSTITUTED ACIDS FOR THE TREATMENT OF RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2006-01-19 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 (1 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-20080114002-A1 Substituted Acids for the Treatment of Respiratory Diseases HRH2, HRH1, HRH4 POLB 2888/4885FFAR1 23/4885FFAR4 133/4885

“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.