SCHEMBL3343333

SCHEMBL3343333

COC(=O)c1cnc(-c2cccc(F)c2F)cc1Oc1ccccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.41
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPK1 P28482 1/20 0.39
KMO O15229 1/20 0.38
RAB9A P51151 2/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CSF1R P07333 1/20 0.37
TGFBR1 P36897 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
SCHEMBL3342890 0.89 SCN9A (0.43) SCN9AALDH1A1NPC1KDM4EMAPK1
SCHEMBL3343592 0.88 KMO (0.46) SCN9AALDH1A1NPC1KMORAB9A
SCHEMBL3341965 0.88 MAPK8 (0.43) SCN9ASLC6A4SLC6A3ALDH1A1NPC1
SCHEMBL3342056 0.88 NPC1 (0.41) SCN9AALDH1A1NPC1KDM4EMAPK1
SCHEMBL3342567 0.86 ALPL (0.46) SCN9ASLC6A4SLC6A3KMOTGFBR1
SCHEMBL3341989 0.84 TGFBR1 (0.41) SCN9ASLC6A4SLC6A3ALDH1A1NPC1
SCHEMBL3341309 0.80 CHRNA7 (0.42) SCN9ASLC6A4SLC6A3SMN1; SMN2NPC1
SCHEMBL3347867 0.79 NPC1 (0.42) SCN9ASMN1; SMN2NPC1KDM4EKMO
SCHEMBL3342486 0.79 DHODH (0.42) SCN9ASMN1; SMN2NPC1KDM4EKMO
SCHEMBL3343792 0.78 DHODH (0.42) SCN9AKMO

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 SCN9A 2847/4885SLC6A4 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.