SCHEMBL333331

SCHEMBL333331

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

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 19/20 0.79
▸ CYP3A4 P08684 5/20 0.79
▸ CYP2C9 P11712 9/20 0.68
▸ CYP2C8 P10632 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ ADRB1 P08588 1/20 0.54
▸ HTR1A P08908 1/20 0.54
▸ HRH3 Q9Y5N1 1/20 0.54

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
SCHEMBL5623594 0.93 ELANE (0.69) ELANECYP3A4CYP2C9CYP2C8CYP2C19
SCHEMBL8344545 0.92 ELANE (0.78) ELANECYP3A4CYP2C9CYP2C8CYP2C19
SCHEMBL5205452 0.90 ELANE (0.75) ELANECYP3A4CYP2C9CYP2C8CYP2C19
SCHEMBL5205336 0.90 ELANE (0.67) ELANECYP3A4CYP2C9
SCHEMBL5202886 0.88 ELANE (1.00) ELANECYP3A4CYP2C9CYP2C8CYP2C19
SCHEMBL10090359 0.87 ELANE (0.71) ELANECYP3A4CYP2C9CYP2C8CYP2C19
SCHEMBL10090346 0.86 ELANE (0.68) ELANECYP3A4CYP2C9ADRB1HTR1A
SCHEMBL333051 0.86 ELANE (0.83) ELANECYP3A4CYP2C9CYP2C8CYP2C19
SCHEMBL8285582 0.86 ELANE (0.68) ELANECYP3A4CYP2C9CYP2C8CYP2C19
SCHEMBL10090407 0.86 ELANE (0.70) ELANECYP3A4CYP2C9CYP2C8CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097629-B2 Dihydropyridinone derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-17 — — US disclosed
US-8097629-B2 Dihydropyridinone derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-17 — — US disclosed
US-8097629-B2 Dihydropyridinone derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-17 — — US disclosed
EP-1720857-B1 DIHYDROPYRIDINONE DERIVATIVES BAYER SCHERING PHARMA AG (DE) 2011-07-13 — — EP disclosed
US-20080045541-A1 Dihydropyridinone Derivatives BAYER-HEALTHCARE AG (DE) 2008-02-21 — — US disclosed
US-20080045541-A1 Dihydropyridinone Derivatives BAYER-HEALTHCARE AG (DE) 2008-02-21 — — US disclosed
US-20080045541-A1 Dihydropyridinone Derivatives BAYER-HEALTHCARE AG (DE) 2008-02-21 — — 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-20080045541-A1 Dihydropyridinone Derivatives TNNI3, DHPS, TNNT2 ELANE 260/4885CYP3A4 3343/4885CYP2C9 4046/4885

“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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