SCHEMBL3345267

SCHEMBL3345267

Cc1ccc(-c2cc(Oc3ccc(OC(F)(F)F)cc3Cl)c(C(=O)O)cn2)cc1F

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMO O15229 4/20 0.45
FFAR4 Q5NUL3 6/20 0.44
FFAR1 O14842 4/20 0.44
MRGPRX4 Q96LA9 1/20 0.42
DHODH Q02127 2/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
SCN5A Q14524 2/20 0.40
CYP2C9 P11712 1/20 0.40
EIF4E P06730 1/20 0.40
SCN8A Q9UQD0 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
CYP3A4 P08684 1/20 0.39
KCNH2 Q12809 1/20 0.39
CACNA1C Q13936 1/20 0.39

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
SCHEMBL3340037 0.92 FFAR4 (0.41) KMOFFAR4FFAR1MRGPRX4DHODH
SCHEMBL3345443 0.90 KMO (0.44) KMOMRGPRX4DHODHSCN5AEIF4E
SCHEMBL3340301 0.86 KMO (0.46) KMODHODHSCN5A
SCHEMBL3344408 0.84 KMO (0.44) KMOMRGPRX4DHODHPPARDPPARA
SCHEMBL3342587 0.83 KMO (0.47) KMO
SCHEMBL3341930 0.83 SCN8A (0.41) KMODHODHSCN5ACYP2C9SCN8A
SCHEMBL8213253 0.83 KMO (0.41) KMOFFAR4FFAR1MRGPRX4DHODH
SCHEMBL3341691 0.82 KMO (0.46) KMODHODHEIF4E
SCHEMBL3339524 0.82 KMO (0.44) KMODHODHSCN5AEIF4E
SCHEMBL3341300 0.79 KMO (0.40) KMOSCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160386-A1 4-PHENOXY-NICOTINE ACID DERIVATIVES AND USE THEREOF AS PPAR-MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT 2010-06-24 US disclosed
US-20100160386-A1 4-PHENOXY-NICOTINE ACID DERIVATIVES AND USE THEREOF AS PPAR-MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT 2010-06-24 US disclosed
US-20100160386-A1 4-PHENOXY-NICOTINE ACID DERIVATIVES AND USE THEREOF AS PPAR-MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT 2010-06-24 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 (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-20100160386-A1 4-PHENOXY-NICOTINE ACID DERIVATIVES AND USE THEREOF AS PPAR-MODULATORS PPARA, PPARD, PPARG KMO 1885/4885FFAR4 17/4885FFAR1 53/4885

“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.