SCHEMBL3345443

SCHEMBL3345443

COc1ccc(Oc2cc(-c3ccc(C)c(F)c3)ncc2C(=O)O)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 4/20 0.44
DHODH Q02127 1/20 0.42
SCN9A Q15858 4/20 0.40
SCN5A Q14524 2/20 0.40
SCN8A Q9UQD0 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
EIF4E P06730 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PRKAB2 O43741 1/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA2 P54646 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAG3 Q9UGI9 1/20 0.38
PRKAG2 Q9UGJ0 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
LDHA P00338 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK10 P53779 1/20 0.38

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
SCHEMBL3339524 0.92 KMO (0.44) KMODHODHSCN9ASCN5AEIF4E
SCHEMBL3341930 0.91 SCN8A (0.41) KMODHODHSCN9ASCN5ASCN8A
SCHEMBL3345267 0.90 KMO (0.45) KMODHODHSCN5ASCN8ASCN10A
SCHEMBL3340301 0.89 KMO (0.46) KMODHODHSCN9ASCN5ALDHA
SCHEMBL3342587 0.86 KMO (0.47) KMOSCN9ALDHA
SCHEMBL3341691 0.85 KMO (0.46) KMODHODHSCN9AEIF4ESMN1; SMN2
SCHEMBL3345623 0.83 SCN9A (0.41) KMOSCN9ASCN5AKDM4E
SCHEMBL3749594 0.83 KMO (0.44) KMOSCN9ASCN5ASCN8ASCN10A
SCHEMBL3340037 0.83 FFAR4 (0.41) KMODHODHSCN9ASCN5ASCN8A
SCHEMBL8221375 0.82 KMO (0.43) KMODHODHSCN9ASCN5AEIF4E

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 1885/4885DHODH 3009/4885SCN9A 2847/4885

“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.