SCHEMBL3347331

SCHEMBL3347331

O=C(O)c1cnc(-c2cccc(F)c2)cc1Oc1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.46
LDHA P00338 1/20 0.43
FABP3 P05413 1/20 0.43
FABP4 P15090 1/20 0.43
HPGDS O60760 1/20 0.43
MAP4K4 O95819 1/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
DHODH Q02127 2/20 0.39
HAVCR2 Q8TDQ0 1/20 0.38
ATR Q13535 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
SCHEMBL3342009 0.91 LDHA (0.42) LDHATP53HTT
SCHEMBL3341188 0.90 LDHA (0.46) LDHATP53HTTDHODH
SCHEMBL3342027 0.88 KMO (0.48) KMOLDHATP53HTTDHODH
SCHEMBL3341836 0.86 KMO (0.50) KMOLDHATP53HTT
SCHEMBL3342587 0.86 KMO (0.47) KMOLDHA
SCHEMBL3342166 0.85 CSNK1D (0.47) TP53HTT
SCHEMBL3344293 0.84 KMO (0.46) KMODHODH
SCHEMBL3340026 0.81 LDHA (0.51) LDHATP53HTTDHODH
SCHEMBL3343592 0.81 KMO (0.46) KMOTP53HTTDHODH
SCHEMBL5115225 0.80 TDP1 (0.56) FABP3FABP4

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 KMO 1885/4885LDHA 3407/4885FABP3 4/4885

“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.