SCHEMBL18086853

SCHEMBL18086853

C=CCOC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)N(C)C1c1ccc(C#N)cc1S(C)(=O)=O

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 20/20 0.69

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
SCHEMBL170099 1.00 ELANE (0.69) ELANE
SCHEMBL171781 0.92 ELANE (0.61) ELANE
SCHEMBL172183 0.90 ELANE (0.70) ELANE
SCHEMBL3719890 0.89 ELANE (0.66) ELANE
SCHEMBL123964 0.89 ELANE (0.66) ELANE
SCHEMBL15473090 0.89 ELANE (0.53) ELANE
SCHEMBL18086965 0.87 ELANE (0.66) ELANE
SCHEMBL18086969 0.87 ELANE (0.75) ELANE
SCHEMBL172094 0.87 ELANE (0.75) ELANE
SCHEMBL1155479 0.87 ELANE (0.75) ELANE

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
EP-3271337-B1 PROCESS FOR THE PREPARATION OF (4S)-4-[4-CYANO-2-(METHYLSULFONYL)PHENYL]-3,6-DIMETHYL-2-OXO-1-[3-(TRIFLUORMETHYL)PHENYL]-1,2,3,4-TETRAHYDRO PYRIMIDIN-5-CARBONITRIL PH PHARMA CO LTD (KR) 2021-03-03 — — EP disclosed
US-10676443-B2 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 CO., LTD. (KR) 2020-06-09 — — US disclosed
US-20190248750-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 CO., LTD. (KR) 2019-08-15 — — US disclosed
US-10316001-B2 Method for producing (4S)-4-[4-cyano-2-(methylsulfonyl)phenyl]-3,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrohydro pyrimidine-5-carbonitrile PH PHARMA CO., LTD. (KR) 2019-06-11 — — US 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
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-2016146607-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 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-09-22 — — 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 (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-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 4665/4885
US-10316001-B2 Method for producing (4S)-4-[4-cyano-2-(methylsulfonyl)phenyl]-3,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrohydro pyrimidine-5-carbonitrile TYMS, TPMT, CTPS1 ELANE 4659/4885
US-20190248750-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 CYP2S1, PFAS, DPYD ELANE 4588/4885
US-10676443-B2 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 CYP2S1, PFAS, DPYD ELANE 4588/4885

“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.

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