SCHEMBL5474289

SCHEMBL5474289

CC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C=C(C(=O)O)C1c1ccc(Br)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 10/20 0.58
▸ CYP2C9 P11712 7/20 0.58
▸ CYP3A4 P08684 5/20 0.58
▸ CYP2C19 P33261 2/20 0.42
▸ CYP2C8 P10632 1/20 0.42
▸ NOTUM Q6P988 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ ADRB1 P08588 1/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ NPY5R Q15761 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ CYP1A2 P05177 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
SCHEMBL14520821 0.89 ELANE (0.69) ELANECYP2C9CYP3A4CYP2C19CYP2C8
SCHEMBL5477325 0.87 ELANE (0.59) ELANECYP2C9CYP3A4CYP2C19CYP2C8
SCHEMBL5479466 0.81 ELANE (0.78) ELANECYP2C9CYP3A4CYP2C19CYP2C8
SCHEMBL14520823 0.77 ELANE (0.71) ELANECYP2C9CYP3A4
SCHEMBL14520819 0.73 ELANE (1.00) ELANECYP2C9CYP3A4CYP2C19CYP2C8
SCHEMBL5473659 0.71 ELANE (0.71) ELANECYP2C9CYP3A4CYP2C19CYP2C8
SCHEMBL14041067 0.71 ELANE (0.71) ELANECYP2C9CYP3A4CYP2C19CYP2C8
SCHEMBL13378054 0.69 ELANE (0.75) ELANECYP2C9CYP3A4CYP2C19CYP2C8
SCHEMBL5468566 0.69 ELANE (0.79) ELANECYP2C9CYP3A4CYP2C19CYP2C8
SCHEMBL13378063 0.67 ELANE (0.91) ELANECYP2C9CYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199136-B2 1,4-dihydro-1,4-diphenylpyridine derivatives BAYER HEALTHCARE AG (DE) 2007-04-03 — — US disclosed
EP-1458682-B1 1,4-DIHYDRO-1,4-DIPHENYLPYRIDINE DERIVATIVES BAYER HEALTHCARE AG (DE) 2006-08-30 — — EP disclosed
US-20050165014-A1 Antiinflammatory agents, neutrophil elastase inhibitors; chronic obstructive pulmonary diseases BAYER HEALTHCARE AG 2005-07-28 — — US 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-20050165014-A1 Antiinflammatory agents, neutrophil elastase inhibitors; chronic obstructive pulmonary diseases SERPINB1, ELANE, MPO ELANE 2/4885CYP2C9 3202/4885CYP3A4 1315/4885

“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.

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