SCHEMBL13872092

SCHEMBL13872092

CC1=C(C(=O)OCCCCCCCCCCOC(=O)C2=C(C)N(c3cccc(C(F)(F)F)c3)C(=O)NC2c2ccc(C#N)cc2)C(c2ccc(C#N)cc2)NC(=O)N1c1cccc(C(F)(F)F)c1

nearest known ligand 0.87

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 20/20 0.87
▸ CYP2C9 P11712 6/20 0.87
▸ CYP3A4 P08684 3/20 0.58
▸ ADRB1 P08588 1/20 0.57
▸ HTR1A P08908 1/20 0.57
▸ HRH3 Q9Y5N1 1/20 0.57

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
SCHEMBL20176384 0.97 ELANE (0.82) ELANECYP2C9CYP3A4ADRB1HTR1A
SCHEMBL13872877 0.95 ELANE (0.86) ELANECYP2C9CYP3A4ADRB1HTR1A
SCHEMBL3707890 0.93 ELANE (1.00) ELANECYP2C9CYP3A4ADRB1HTR1A
SCHEMBL2894380 0.93 ELANE (1.00) ELANECYP2C9CYP3A4ADRB1HTR1A
SCHEMBL13872095 0.93 ELANE (0.87) ELANECYP2C9CYP3A4ADRB1HTR1A
SCHEMBL14899925 0.93 ELANE (0.89) ELANECYP2C9CYP3A4ADRB1HTR1A
SCHEMBL8345574 0.93 ELANE (0.81) ELANECYP2C9CYP3A4ADRB1HTR1A
SCHEMBL2894512 0.92 ELANE (0.86) ELANECYP2C9CYP3A4ADRB1HTR1A
SCHEMBL392232 0.92 ELANE (1.00) ELANECYP2C9CYP3A4ADRB1HTR1A
SCHEMBL3482731 0.92 ELANE (1.00) ELANECYP2C9CYP3A4ADRB1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10201536-B2 Methods and pharmaceutical compositions for the treatment of bacterial infections in patients suffering from cirrhosis INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2019-02-12 — — US disclosed
US-20180140597-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF BACTERIAL INFECTIONS IN PATIENTS SUFFERING FROM CIRRHOSIS INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2018-05-24 — — US disclosed
WO-2014186623-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF A CHAGAS DISEASE BIOMED VALLEY DISCOVERIES (US) 2014-11-20 — — WO disclosed
US-20090105268-A1 Dihydropyrimidone Multimers and Their Use as Human Neutrophil, Elastase Inhibitors ARGENTA DISCOVERY LIMITED (GB) 2009-04-23 — — US disclosed
US-20090105268-A1 Dihydropyrimidone Multimers and Their Use as Human Neutrophil, Elastase Inhibitors ARGENTA DISCOVERY LIMITED (GB) 2009-04-23 — — US disclosed
WO-2006136857-A1 DIHYDROPYRIMIDONE MULTIMERS AND THEIR USE AS HUMAN NEUTROPHIL ELASTASE INHIBITORS ARGENTA DISCOVERY LIMITED (GB) 2006-12-28 — — 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 (3 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-10201536-B2 Methods and pharmaceutical compositions for the treatment of bacterial infections in patients suffering from cirrhosis TLR8, TLR7, TLR3 ELANE 99/4885CYP2C9 4290/4885CYP3A4 3972/4885
US-20180140597-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF BACTERIAL INFECTIONS IN PATIENTS SUFFERING FROM CIRRHOSIS TLR8, TLR7, TLR3 ELANE 99/4885CYP2C9 4290/4885CYP3A4 3972/4885
US-20090105268-A1 Dihydropyrimidone Multimers and Their Use as Human Neutrophil, Elastase Inhibitors SERPINB1, ELANE, MPO ELANE 2/4885CYP2C9 3835/4885CYP3A4 2182/4885

“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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