SCHEMBL3342486

SCHEMBL3342486

COc1ccc(Oc2cc(-c3cccc(F)c3F)ncc2C(=O)O)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPK10 P53779 1/20 0.41
PYGL P06737 1/20 0.41
PYGM P11217 1/20 0.41
KMO O15229 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
SCN8A Q9UQD0 1/20 0.38
SCN10A Q9Y5Y9 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
SCHEMBL3347867 0.92 NPC1 (0.42) DHODHNPC1RAB9AKDM4EPOLB
SCHEMBL3341965 0.91 MAPK8 (0.43) DHODHMRGPRX4NPC1RAB9AKDM4E
SCHEMBL3343592 0.86 KMO (0.46) DHODHNPC1RAB9AKMOEIF4E
SCHEMBL3343792 0.84 DHODH (0.42) DHODHMRGPRX4KMOEIF4ESCN9A
SCHEMBL3342056 0.83 NPC1 (0.41) DHODHNPC1RAB9AKDM4EMAPK8
SCHEMBL3762159 0.83 KDM4E (0.42) MRGPRX4KDM4EPOLBMAPK8MAPK10
SCHEMBL3345443 0.80 KMO (0.44) DHODHMRGPRX4KDM4EMAPK8MAPK10
SCHEMBL8217024 0.80 RAB9A (0.41) DHODHMRGPRX4NPC1RAB9APYGL
SCHEMBL3343333 0.79 SCN9A (0.41) NPC1RAB9AKDM4EKMOMEN1
SCHEMBL3344422 0.77 KMO (0.51) DHODHNPC1RAB9AKMOEIF4E

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 DHODH 3009/4885MRGPRX4 3850/4885NPC1 823/4885

“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.