SCHEMBL3347867

SCHEMBL3347867

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PYGL P06737 1/20 0.41
PYGM P11217 1/20 0.41
DHODH Q02127 3/20 0.40
EIF4E P06730 2/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 2/20 0.39
KMO O15229 1/20 0.39
PLG P00747 1/20 0.39
PLAU P00749 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
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL3342486 0.92 DHODH (0.42) NPC1RAB9APYGLPYGMDHODH
SCHEMBL3342056 0.91 NPC1 (0.41) NPC1RAB9APYGLPYGMDHODH
SCHEMBL3343792 0.88 DHODH (0.42) DHODHEIF4EKMOPLGPLAU
SCHEMBL3343592 0.86 KMO (0.46) NPC1RAB9ADHODHEIF4EKMO
SCHEMBL3341965 0.83 MAPK8 (0.43) NPC1RAB9ADHODHKDM4ESCN9A
SCHEMBL3754181 0.83 PLG (0.43) PYGLPYGMEIF4EKDM4EPOLB
SCHEMBL3340085 0.82 KMO (0.40) DHODHEIF4EKDM4EPOLBKMO
SCHEMBL8217024 0.82 RAB9A (0.41) NPC1RAB9APYGLPYGMDHODH
SCHEMBL3339524 0.80 KMO (0.44) DHODHEIF4EKDM4EKMOPLG
SCHEMBL3342890 0.80 SCN9A (0.43) NPC1DHODHKDM4ESCN9A

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 NPC1 823/4885RAB9A 4404/4885PYGL 391/4885

“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.