SCHEMBL586974

SCHEMBL586974

CC1=C(C#N)[C@@H](c2ccc(C#N)cc2S(=O)(=O)Cl)NC(=O)N1c1cccc(C(F)(F)F)c1

nearest known ligand 0.85

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ELANE P08246 20/20 0.85
CYP2C9 P11712 2/20 0.70
CYP2C19 P33261 1/20 0.61
CYP3A4 P08684 1/20 0.55

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
SCHEMBL3716383 0.92 ELANE (1.00) ELANECYP2C9CYP2C19
SCHEMBL123590 0.92 ELANE (1.00) ELANECYP2C9CYP2C19
SCHEMBL586579 0.91 ELANE (0.85) ELANECYP2C9CYP2C19CYP3A4
SCHEMBL2118000 0.91 ELANE (0.85) ELANECYP2C9CYP2C19CYP3A4
SCHEMBL2117589 0.90 ELANE (0.84) ELANECYP2C9CYP2C19CYP3A4
SCHEMBL124884 0.90 ELANE (0.84) ELANECYP2C9CYP2C19
SCHEMBL586624 0.90 ELANE (0.87) ELANECYP2C9CYP2C19CYP3A4
SCHEMBL2116319 0.90 ELANE (0.87) ELANECYP2C9CYP2C19CYP3A4
SCHEMBL122610 0.90 ELANE (0.84) ELANECYP2C9CYP2C19
SCHEMBL2117342 0.90 ELANE (0.87) ELANECYP2C9CYP2C19CYP3A4

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
EP-2417112-B1 SULFONIC AMIDE AND SULFOXIMINE-SUBSTITUTED DIARYL-DIHYDROPYRIMIDINONES AND USAGE THEREOF BAYER IP GMBH (DE) 2014-07-09 EP disclosed
EP-2417112-B1 SULFONIC AMIDE AND SULFOXIMINE-SUBSTITUTED DIARYL-DIHYDROPYRIMIDINONES AND USAGE THEREOF BAYER IP GMBH (DE) 2014-07-09 EP disclosed
US-20120094968-A1 SULFONIC AMIDE AND SULFOXIMINE-SUBSTTTUTED DIARYL-DIHYDROPYRIMIDINONES AND USAGE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-04-19 US disclosed
EP-2417112-A1 SULFONIC AMIDE AND SULFOXIMINE-SUBSTITUTED DIARYL-DIHYDROPYRIMIDINONES AND USAGE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2012-02-15 EP disclosed
WO-2010115548-A1 SULFONIC AMIDE AND SULFOXIMINE-SUBSTITUTED DIARYL-DIHYDROPYRIMIDINONES AND USAGE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-10-14 WO disclosed
WO-2010115548-A1 SULFONIC AMIDE AND SULFOXIMINE-SUBSTITUTED DIARYL-DIHYDROPYRIMIDINONES AND USAGE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-10-14 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-20120094968-A1 SULFONIC AMIDE AND SULFOXIMINE-SUBSTTTUTED DIARYL-DIHYDROPYRIMIDINONES AND USAGE THEREOF STS, SQOR, TST ELANE 2343/4885CYP2C9 2026/4885CYP2C19 2591/4885

“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.