SCHEMBL3342567

SCHEMBL3342567

COC(=O)c1cnc(-c2ccc(F)cc2F)cc1Oc1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.46
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
MAPK14 Q16539 2/20 0.39
DHODH Q02127 1/20 0.39
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
CTSA P10619 1/20 0.39
KMO O15229 1/20 0.39
SCN9A Q15858 5/20 0.38
MAPT P10636 1/20 0.38
TGFBR1 P36897 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
SCHEMBL3344293 0.88 KMO (0.46) DHODHKMO
SCHEMBL3343333 0.86 SCN9A (0.41) SLC6A4SLC6A3KMOSCN9ATGFBR1
SCHEMBL3340790 0.84 ALPL (0.53) ALPLSLC6A4SLC6A3MAPK14DHODH
SCHEMBL3341309 0.81 CHRNA7 (0.42) SLC6A4SLC6A3CTSAKMOSCN9A
SCHEMBL3342017 0.80 SYK (0.43) MAPT
SCHEMBL3344080 0.79 FEN1 (0.39) DHODHKMO
SCHEMBL3342890 0.76 SCN9A (0.43) DHODHSCN9AMAPTTGFBR1
SCHEMBL3342056 0.75 NPC1 (0.41) DHODHSCN9A
SCHEMBL3341965 0.75 MAPK8 (0.43) SLC6A4SLC6A3DHODHSCN9A
SCHEMBL3341299 0.74 ALDH1A1 (0.47) MAPT

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 4 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
WO-2008031500-A1 4-PHENOXY-NICOTINE ACID DERIVATIVES AND USE THEREOF AS PPAR-MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-20 WO 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 ALPL 2813/4885SLC6A4 1307/4885SLC6A3 1602/4885

“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.