SCHEMBL2679151

SCHEMBL2679151

CC1=C(C(=O)O)C(c2ccc(C#N)cc2)NC(=S)N1c1cccc(C(F)(F)F)c1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ELANE P08246 20/20 0.70
CYP2C9 P11712 7/20 0.70
CYP3A4 P08684 3/20 0.59
ADRB1 P08588 1/20 0.54
HTR1A P08908 1/20 0.54
HRH3 Q9Y5N1 1/20 0.54

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
SCHEMBL18204106 1.00 ELANE (0.70) ELANECYP2C9CYP3A4ADRB1HTR1A
SCHEMBL2677248 0.93 ELANE (0.82) ELANECYP2C9CYP3A4ADRB1HTR1A
SCHEMBL2678382 0.92 ELANE (0.69) ELANECYP2C9CYP3A4ADRB1HTR1A
SCHEMBL394085 0.90 ELANE (0.85) ELANECYP2C9CYP3A4ADRB1HTR1A
SCHEMBL4449580 0.90 ELANE (0.85) ELANECYP2C9CYP3A4ADRB1HTR1A
SCHEMBL394677 0.90 ELANE (0.85) ELANECYP2C9CYP3A4ADRB1HTR1A
SCHEMBL2678515 0.90 ELANE (0.67) ELANECYP2C9CYP3A4ADRB1HTR1A
SCHEMBL2678317 0.90 ELANE (0.67) ELANECYP2C9CYP3A4ADRB1HTR1A
SCHEMBL2678551 0.90 ELANE (0.70) ELANECYP2C9CYP3A4ADRB1HTR1A
SCHEMBL14760482 0.90 ELANE (0.70) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173665-B2 I-pheny 1-3,4-dihydropyrimidin-2(1H)-one derivatives and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-08 US disclosed
US-8173665-B2 I-pheny 1-3,4-dihydropyrimidin-2(1H)-one derivatives and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-08 US disclosed
EP-1539710-B1 HETEROCYCLIC DERIVATIVES BAYER SCHERING PHARMA AG (DE) 2010-10-27 EP disclosed
EP-1539710-B1 HETEROCYCLIC DERIVATIVES BAYER SCHERING PHARMA AG (DE) 2010-10-27 EP disclosed
US-20100022537-A1 I-PHENY 1-3,4-DIHYDROPYRIMIDIN-2(1H)-ONE DERIVATIVES AND THEIR USE BAYER HEALTHCARE AG (DE) 2010-01-28 US disclosed
US-20100022537-A1 I-PHENY 1-3,4-DIHYDROPYRIMIDIN-2(1H)-ONE DERIVATIVES AND THEIR USE BAYER HEALTHCARE AG (DE) 2010-01-28 US disclosed
US-7566723-B2 1-phenyl1-3,4-dihydropyrimidin-2(1H)-one derivatives and their use BAYER HEALTHCARE AG (DE) 2009-07-28 US disclosed
US-7566723-B2 1-phenyl1-3,4-dihydropyrimidin-2(1H)-one derivatives and their use BAYER HEALTHCARE AG (DE) 2009-07-28 US disclosed
US-7566723-B2 1-phenyl1-3,4-dihydropyrimidin-2(1H)-one derivatives and their use BAYER HEALTHCARE AG (DE) 2009-07-28 US disclosed
US-20060111377-A1 Heterocyclic derivatives BAYER HEALTHCARE A G (DE) 2006-05-25 US disclosed
EP-1539710-A1 HETEROCYCLIC DERIVATIVES Bayer HealthCare AG (DE) 2005-06-15 EP disclosed
WO-2004024701-A1 HETEROCYCLIC DERIVATIVES BAYER HEALTHCARE AG (DE) 2004-03-25 WO disclosed
WO-2004024701-A1 HETEROCYCLIC DERIVATIVES BAYER HEALTHCARE AG (DE) 2004-03-25 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-20100022537-A1 I-PHENY 1-3,4-DIHYDROPYRIMIDIN-2(1H)-ONE DERIVATIVES AND THEIR USE TNNI3, HIF1AN, TNNT2 ELANE 314/4885CYP2C9 1933/4885CYP3A4 1262/4885
US-20060111377-A1 Heterocyclic derivatives TNNI3, TBXA2R, TNNT2 ELANE 137/4885CYP2C9 1635/4885CYP3A4 651/4885

“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.