Sugi Predict

Sugi Predict / Compounds / SCHEMBL983524

SCHEMBL983524

SCHEMBL983524

Cc1c([S+]([O-])c2ccc(C#N)cc2)cc(C(=O)O)c(=O)n1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 16/20 0.50
▸ NOTUM Q6P988 3/20 0.49
▸ CYP2C9 P11712 6/20 0.43
▸ CYP3A4 P08684 4/20 0.43
▸ CTSK P43235 1/20 0.39

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
SCHEMBL17378378 0.93 ELANE (0.50) ELANENOTUMCYP2C9CYP3A4
SCHEMBL18880049 0.92 ELANE (0.49) ELANENOTUMCYP2C9CYP3A4
SCHEMBL3967256 0.92 ELANE (0.49) ELANENOTUMCYP2C9CYP3A4
SCHEMBL12922348 0.91 NOTUM (0.49) ELANENOTUMCYP2C9CYP3A4
SCHEMBL4137740 0.90 ELANE (0.62) ELANENOTUMCYP2C9CYP3A4
SCHEMBL4131125 0.89 ELANE (0.53) ELANECYP2C9CYP3A4
SCHEMBL4138859 0.89 ELANE (0.53) ELANECYP2C9CYP3A4
SCHEMBL985821 0.89 ELANE (0.51) ELANECYP2C9CYP3A4
SCHEMBL8220444 0.89 NOTUM (0.53) ELANENOTUM
SCHEMBL8210572 0.88 NOTUM (0.52) ELANENOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003858-A1 MULTIMERIC HETEROCYCLIC COMPOUNDS USEFUL AS NEUTROPHIL ELASTASE INHIBITORS ASTRAZENECA AB (SE) 2011-01-06 — — US disclosed
US-20110003858-A1 MULTIMERIC HETEROCYCLIC COMPOUNDS USEFUL AS NEUTROPHIL ELASTASE INHIBITORS ASTRAZENECA AB (SE) 2011-01-06 — — US disclosed
US-20110003858-A1 MULTIMERIC HETEROCYCLIC COMPOUNDS USEFUL AS NEUTROPHIL ELASTASE INHIBITORS ASTRAZENECA AB (SE) 2011-01-06 — — US disclosed
US-20090105239-A1 2-PYRIDINE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE ASTRAZENECA AB (SE) 2009-04-23 — — US disclosed
WO-2009037413-A1 DIMERS OF 5- [ (4-CYANOPHENYL) SULFINYL] -6-METHYL-2-OXO-1- [3- (TRIFLUOROMETHYL)PHENYL] -1,2-DIHYDROPYRIDINE-3-CARBOXAMIDE AS INHIBITORS OF HUMAN NEUTROPHIL ELASTASE FOR TREATING RESPIRATORY DISEASES ARGENTA DISCOVERY LIMITED (GB) 2009-03-26 — — WO disclosed
CN-101142188-A 2-pyridine derivatives as inhibitors of neutrophile elastase ASTRAZENECA AB (SE) 2008-03-12 — — CN disclosed
EP-1861371-A1 NOVEL COMPOUNDS II 2-PYRIDINE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE. AstraZeneca AB (SE) 2007-12-05 — — EP disclosed
WO-2007107706-A2 DIMERS OF HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF COPD ARGENTA DISCOVERY LIMITED (GB) 2007-09-27 — — WO disclosed
WO-2006098684-A1 NOVEL COMPOUNDS II 2-PYRIDINE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE. ASTRAZENECA AB (SE) 2006-09-21 — — 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 (2 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-20090105239-A1 2-PYRIDINE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE SERPINB1, ELANE, MPO ELANE 2/4885NOTUM 2654/4885CYP2C9 524/4885
US-20110003858-A1 MULTIMERIC HETEROCYCLIC COMPOUNDS USEFUL AS NEUTROPHIL ELASTASE INHIBITORS SERPINB1, ELANE, MPO ELANE 2/4885NOTUM 1520/4885CYP2C9 536/4885

“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.