SCHEMBL3718558

SCHEMBL3718558

CC1=C(C#N)C(c2ccc(C#N)cc2S(C)(=O)=O)N(S(=O)(=O)C2CC2)C(=O)N1c1cccc(C(F)(F)F)c1

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ELANE P08246 20/20 0.79
CYP2C9 P11712 2/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C19 P33261 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
SCHEMBL123646 1.00 ELANE (0.79) ELANECYP2C9CYP3A4CYP2C19
SCHEMBL8010841 0.96 ELANE (0.76) ELANECYP2C9CYP3A4CYP2C19
SCHEMBL18839888 0.92 ELANE (0.83) ELANECYP2C9CYP3A4
SCHEMBL123593 0.92 ELANE (0.83) ELANECYP2C9CYP3A4
SCHEMBL3723154 0.90 ELANE (0.79) ELANECYP2C9CYP3A4
SCHEMBL124551 0.90 ELANE (0.79) ELANECYP2C9CYP3A4
SCHEMBL12859002 0.89 ELANE (0.72) ELANECYP2C19
SCHEMBL123019 0.89 ELANE (0.78) ELANECYP2C9CYP3A4CYP2C19
SCHEMBL125403 0.89 ELANE (0.83) ELANECYP2C9CYP3A4CYP2C19
SCHEMBL3663656 0.89 ELANE (1.00) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3373936-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES FOR TREATING CHRONIC WOUNDS Bayer Pharma Aktiengesellschaft (DE) 2018-09-19 EP claimed
WO-2017081044-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES FOR TREATING CHRONIC WOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-05-18 WO claimed
EP-3373936-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES FOR TREATING CHRONIC WOUNDS Bayer Pharma Aktiengesellschaft (DE) 2018-09-19 EP disclosed
WO-2017081044-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES FOR TREATING CHRONIC WOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-05-18 WO disclosed
EP-2234985-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2010-10-06 EP disclosed
WO-2009080199-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-07-02 WO disclosed