SCHEMBL3341989

SCHEMBL3341989

COC(=O)c1cnc(-c2cccc(F)c2F)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.41
KMO O15229 1/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
PDK2 Q15119 1/20 0.40
SCN9A Q15858 2/20 0.39
MAPK1 P28482 2/20 0.39
NPC1 O15118 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
IDO1 P14902 1/20 0.39
MAPT P10636 1/20 0.38
CDK2 P24941 1/20 0.38
FLT4 P35916 1/20 0.38
MAPK8 P45983 1/20 0.38
CLK2 P49760 1/20 0.38
LIMK1 P53667 1/20 0.38
CSNK2A1 P68400 1/20 0.38
CDK5 Q00535 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
SCHEMBL3343333 0.84 SCN9A (0.41) TGFBR1KMOSLC6A4SLC6A3SCN9A
SCHEMBL3344422 0.84 KMO (0.51) KMONPC1EIF4EDHODHRAB9A
SCHEMBL3342890 0.82 SCN9A (0.43) TGFBR1SCN9AMAPK1NPC1KDM4E
SCHEMBL3342056 0.81 NPC1 (0.41) SCN9AMAPK1NPC1KDM4EALDH1A1
SCHEMBL3341965 0.81 MAPK8 (0.43) SLC6A4SLC6A3SCN9AMAPK1NPC1
SCHEMBL3340790 0.81 ALPL (0.53) TGFBR1KMOSLC6A4SLC6A3PDK2
SCHEMBL25148607 0.76 LDHA (0.54) SLC6A4SLC6A3PDK2NPC1KDM4E
SCHEMBL30364708 0.76 LDHA (0.54) SLC6A4SLC6A3PDK2NPC1KDM4E
SCHEMBL3342506 0.75 KMO (0.48) KMOSLC6A4SLC6A3PDK2SCN9A
SCHEMBL22986361 0.75 JMJD6 (0.44) TGFBR1SLC6A4SLC6A3NPC1KDM4E

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 TGFBR1 472/4885KMO 1885/4885SLC6A4 1307/4885

“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.