SCHEMBL3340037

SCHEMBL3340037

COC(=O)c1cnc(-c2ccc(C)c(F)c2)cc1Oc1ccc(OC(F)(F)F)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 4/20 0.41
FFAR1 O14842 3/20 0.41
SCN8A Q9UQD0 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
KMO O15229 1/20 0.40
SCN9A Q15858 8/20 0.40
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
SCN5A Q14524 3/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
DHODH Q02127 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL3345267 0.92 KMO (0.45) FFAR4FFAR1SCN8ASCN10AKMO
SCHEMBL3341930 0.92 SCN8A (0.41) SCN8ASCN10AKMOSCN9ASCN5A
SCHEMBL3341300 0.88 KMO (0.40) KMOSCN9ASCN5A
SCHEMBL3341309 0.85 CHRNA7 (0.42) KMOSCN9ASCN5A
SCHEMBL3345623 0.84 SCN9A (0.41) KMOSCN9ASCN5ACYP2C9
SCHEMBL3341278 0.84 SCN9A (0.43) KMOSCN9ASCN5A
SCHEMBL3345443 0.83 KMO (0.44) SCN8ASCN10AKMOSCN9ASCN5A
SCHEMBL8221295 0.83 FFAR4 (0.38) FFAR4FFAR1KMOSCN9ASCN5A
SCHEMBL3342506 0.79 KMO (0.48) KMOSCN9ASCN5A
SCHEMBL3340301 0.78 KMO (0.46) KMOSCN9ASCN5ADHODH

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 1 patent. 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

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 FFAR4 17/4885FFAR1 53/4885SCN8A 2932/4885

“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.