SCHEMBL3663656

SCHEMBL3663656

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ELANE P08246 20/20 1.00
CYP3A4 P08684 1/20 0.73
CYP2C9 P11712 1/20 0.73

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
SCHEMBL29359628 1.00 ELANE (1.00) ELANECYP3A4CYP2C9
SCHEMBL29709949 1.00 ELANE (1.00) ELANECYP3A4CYP2C9
SCHEMBL29443698 1.00 ELANE (1.00) ELANECYP3A4CYP2C9
SCHEMBL29636980 1.00 ELANE (1.00) ELANECYP3A4CYP2C9
SCHEMBL121431 1.00 ELANE (1.00) ELANECYP3A4CYP2C9
SCHEMBL586622 0.93 ELANE (1.00) ELANECYP3A4CYP2C9
SCHEMBL15866526 0.93 ELANE (1.00) ELANECYP3A4CYP2C9
SCHEMBL3723159 0.93 ELANE (0.87) ELANECYP3A4CYP2C9
SCHEMBL2117084 0.93 ELANE (1.00) ELANECYP3A4CYP2C9
SCHEMBL122824 0.93 ELANE (0.87) ELANECYP3A4CYP2C9

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
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
WO-2021041264-A1 USE OF A NEUTROPHIL ELASTASE INHIBITOR IN LUNG DISEASE PH PHARMA CO., LTD. (KR) 2021-03-04 WO disclosed
EP-3784657-A1 USE OF NEUTROPHIL ELASTASE INHIBITORS IN LIVER DISEASE pH Pharma Co., Ltd. (KR) 2021-03-03 EP disclosed
EP-3373936-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES FOR TREATING CHRONIC WOUNDS Bayer Pharma Aktiengesellschaft (DE) 2018-09-19 EP disclosed
US-20180072685-A1 METHOD FOR PRODUCING (4S)-4-[4-CYANO-2-(METHYLSULFONYL)PHENYL]-3,6-DIMETHYL-2-OXO-1-[3-(TRIFLUOROMETHYL)PHENYL]-1,2,3,4-TETRAHYDRO PYRIMIDINE-5-CARBONITRILE pH Pharma, Ltd. (KR) 2018-03-15 US 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

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-20180072685-A1 METHOD FOR PRODUCING (4S)-4-[4-CYANO-2-(METHYLSULFONYL)PHENYL]-3,6-DIMETHYL-2-OXO-1-[3-(TRIFLUOROMETHYL)PHENYL]-1,2,3,4-TETRAHYDRO PYRIMIDINE-5-CARBONITRILE PFAS, CYP2S1, DPYD ELANE 4665/4885CYP3A4 82/4885CYP2C9 495/4885

“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.