SCHEMBL1154897

SCHEMBL1154897

CC1=C(C(=O)O)C(c2ccc(C#N)cc2[N+](=O)[O-])NC(=O)N1c1cccc(C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ELANE P08246 19/20 0.62
CYP2C9 P11712 6/20 0.62
CYP2C8 P10632 1/20 0.53
CYP2C19 P33261 1/20 0.53
ADRB1 P08588 1/20 0.51
HTR1A P08908 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51

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
SCHEMBL122114 1.00 ELANE (0.62) ELANECYP2C9CYP2C8CYP2C19ADRB1
SCHEMBL122017 1.00 ELANE (0.62) ELANECYP2C9CYP2C8CYP2C19ADRB1
SCHEMBL2617947 0.93 ELANE (0.72) ELANECYP2C9CYP2C8CYP2C19ADRB1
SCHEMBL123977 0.92 ELANE (0.62) ELANECYP2C9CYP2C8CYP2C19ADRB1
SCHEMBL122770 0.89 ELANE (0.75) ELANECYP2C9
SCHEMBL122115 0.89 ELANE (0.58) ELANECYP2C9CYP2C8CYP2C19ADRB1
SCHEMBL122018 0.89 ELANE (0.58) ELANECYP2C9CYP2C8CYP2C19ADRB1
SCHEMBL2617950 0.89 ELANE (0.69) ELANECYP2C9CYP2C8CYP2C19ADRB1
SCHEMBL1134157 0.87 ELANE (0.78) ELANECYP2C9CYP2C8CYP2C19
SCHEMBL15473037 0.86 ELANE (0.46) ELANECYP2C9

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-9174997-B2 4-(4-cyano-2-thioaryl)dihydropyrimidinones and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-03 US disclosed
US-20150045344-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND USE THEREOF PH PHARMA CO., LTD. (KR) 2015-02-12 US disclosed
US-8889700-B2 4-(4-cyano-2-thioaryl)dihydropyrimidinones and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-11-18 US disclosed
US-20140045802-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-13 US disclosed
US-8288402-B2 4-(4-cyano-2-thioaryl)dihydropyrimidinones and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-10-16 US disclosed
US-20120094968-A1 SULFONIC AMIDE AND SULFOXIMINE-SUBSTTTUTED DIARYL-DIHYDROPYRIMIDINONES AND USAGE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-04-19 US disclosed
US-20110034433-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-02-10 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 (4 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-20140045802-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND THEIR USE TNNI3, TNNT2, PC ELANE 1598/4885CYP2C9 582/4885CYP2C8 384/4885
US-20120094968-A1 SULFONIC AMIDE AND SULFOXIMINE-SUBSTTTUTED DIARYL-DIHYDROPYRIMIDINONES AND USAGE THEREOF STS, SQOR, TST ELANE 2343/4885CYP2C9 2026/4885CYP2C8 906/4885
US-20150045344-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND USE THEREOF TNNI3, TNNT2, PC ELANE 1850/4885CYP2C9 581/4885CYP2C8 413/4885
US-20110034433-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND THEIR USE TNNI3, TNNT2, PC ELANE 1598/4885CYP2C9 582/4885CYP2C8 384/4885

“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.