SCHEMBL3342890

SCHEMBL3342890

COC(=O)c1cnc(-c2cccc(F)c2F)cc1Oc1cc(C)ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 9/20 0.43
HSP90AA1 P07900 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
DHODH Q02127 4/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
NPC1 O15118 2/20 0.36
ATM Q13315 1/20 0.36
CYP46A1 Q9Y6A2 1/20 0.36
TGFBR1 P36897 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
IDO1 P14902 1/20 0.35

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
SCHEMBL3343792 0.90 DHODH (0.42) SCN9ADHODHMRGPRX4
SCHEMBL3342056 0.89 NPC1 (0.41) SCN9ADHODHNPC1KDM4EALDH1A1
SCHEMBL3343333 0.89 SCN9A (0.41) SCN9ANPSR1NPC1TGFBR1KDM4E
SCHEMBL3341965 0.85 MAPK8 (0.43) SCN9ADHODHMRGPRX4NPC1KDM4E
SCHEMBL3341989 0.82 TGFBR1 (0.41) SCN9AMAPTDHODHMRGPRX4NPC1
SCHEMBL3341278 0.81 SCN9A (0.43) SCN9ANPC1ATMCYP46A1
SCHEMBL3347867 0.80 NPC1 (0.42) SCN9ADHODHNPC1KDM4E
SCHEMBL3343592 0.77 KMO (0.46) SCN9AHTTDHODHNPC1ALDH1A1
SCHEMBL3342486 0.77 DHODH (0.42) SCN9ADHODHMRGPRX4NPC1KDM4E
SCHEMBL3342567 0.76 ALPL (0.46) SCN9AMAPTDHODHTGFBR1

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 2847/4885HSP90AA1 1632/4885MAPT 3205/4885

“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.