Sugi Predict

Sugi Predict / Compounds / SCHEMBL5998545

SCHEMBL5998545

SCHEMBL5998545

CC(C)Oc1nc(O)cc(C(F)(F)F)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 3/20 0.51
▸ PTGS2 P35354 2/20 0.51
▸ CYP2C19 P33261 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CRHBP P24387 1/20 0.37
▸ CRHR2 Q13324 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.36
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ HSP90AA1 P07900 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.33
▸ TLR7 Q9NYK1 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ MAP3K12 Q12852 1/20 0.31
▸ RXRA P19793 1/20 0.31
▸ RXRB P28702 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31

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
SCHEMBL2116014 0.81 PTGS1 (0.34) PTGS1PTGS2TSHRL3MBTL1LMNA
SCHEMBL601281 0.80 HSD17B10 (0.54) PTGS1PTGS2HSD17B10MEN1KMT2A
SCHEMBL7769189 0.79 ESR1 (0.40) PTGS1PTGS2CYP2C19CYP3A4CYP2D6
SCHEMBL13019341 0.77 PTGS1 (0.49) PTGS1PTGS2CYP2C19CYP3A4CYP2D6
SCHEMBL27626368 0.75 LMNA (0.59) PTGS1PTGS2CYP2C19CYP3A4TSHR
SCHEMBL11798851 0.74 MAPT (0.41) PTGS1PTGS2CYP2C19CYP2D6MEN1
SCHEMBL7769381 0.73 PTGS2 (0.46) PTGS1PTGS2HSD17B10MEN1KMT2A
SCHEMBL601277 0.73 CYP3A4 (0.43) PTGS1PTGS2CYP2C19CYP3A4CYP2D6
SCHEMBL603692 0.70 HSP90AA1 (0.44) CYP2C19CYP3A4CYP2D6TSHRCRHBP
SCHEMBL602201 0.69 ALDH1A1 (0.39) CYP2C19CYP3A4CYP2D6TSHRCRHBP

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109678804-B Method for preparing fluacrypyrim 柳州市惠农化工有限公司 2022-06-24 — — CN claimed
CN-109678804-A A method of preparing fluacrypyrim 柳州市惠农化工有限公司 2019-04-26 — — CN claimed
CN-109678804-B Method for preparing fluacrypyrim 柳州市惠农化工有限公司 2022-06-24 — — CN disclosed
CN-109678804-B Method for preparing fluacrypyrim 柳州市惠农化工有限公司 2022-06-24 — — CN disclosed
CN-109678804-A A method of preparing fluacrypyrim 柳州市惠农化工有限公司 2019-04-26 — — CN disclosed
CN-109678804-A A method of preparing fluacrypyrim 柳州市惠农化工有限公司 2019-04-26 — — CN disclosed
CN-101269076-A Medicine use of beta-methoxy acrylic ester compounds as novel STAT3 restrainer RADIOLOGY AND RADIATION INST O (CN) 2008-09-24 — — CN disclosed
US-20060287527-A1 Process for producing acrylic acid derivative NIPPON SODA CO., LTD. (JP) 2006-12-21 — — US disclosed
US-20060100430-A1 Process for preparation of 2-alkoxy-6-(trifluoromethyl)pyrimidin-4-ol LONZA AG (CH) 2006-05-11 — — US disclosed
EP-1592672-A2 PROCESS FOR PREPARATION OF 2-ALKOXY-6-(TRIFLUOROMETHYL)PYRIMIDIN-4-OL Lonza Ltd (CH) 2005-11-09 — — EP disclosed
WO-2004066905-A3 PROCESS FOR PREPARATION OF 2-ALKOXY-6-(TRIFLUOROMETHYL)PYRIMIDIN-4-OL LONZA AG (CH) 2005-01-20 — — WO disclosed
EP-0798297-B1 Process for the preparation of 2-alkoxy-6-(trifluoromethyl)-pyrimidine-4-ol LONZA AG (CH) 2001-10-31 — — EP disclosed
EP-1142857-A1 PROCESSES FOR PRODUCING ACRYLIC ACID DERIVATIVE NIPPON SODA CO., LTD. (JP) 2001-10-10 — — EP disclosed
EP-1070692-A1 METHODS FOR HIGHLY SELECTIVELY O-ALKYLATING AMIDE COMPOUNDS WITH THE USE OF COPPER SALTS NIPPON SODA CO., LTD. (JP) 2001-01-24 — — EP disclosed
US-5935965-A PESTICIDES, FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1999-08-10 — — US disclosed
EP-0792267-B1 2- (2-ALKOXY-6-TRIFLUOROMETHYL PYRIMIDINE-4-YL)-OXYMETHYLENE]-PHENYL-ACETIC ACID DERIVATIVES, PROCESSES AND INTERMEDIATE PRODUCTS FOR THEIR PRODUCTION AND THEIR USE BASF AG (DE) 1998-10-14 — — EP disclosed
US-5717096-A Process for the preparation of a 2-alkoxy-6-(trifluoromethyl)pyrimidin-4-ol LONZA AG (CH) 1998-02-10 — — US disclosed
EP-0798297-A1 Process for the preparation of 2-alkoxy-6-(triflourmethyl)-pyrimidin-4-ol LONZA AG (CH) 1997-10-01 — — EP disclosed
EP-0792267-A1 2- (2-ALKOXY-6-TRIFLUOROMETHYL PYRIMIDINE-4-YL)-OXYMETHYLENE]-PHENYL-ACETIC ACID DERIVATIVES, PROCESSES AND INTERMEDIATE PRODUCTS FOR THEIR PRODUCTION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1997-09-03 — — EP disclosed
WO-1996016047-A1 2-[(2-ALKOXY-6-TRIFLUOROMETHYL PYRIMIDINE-4-YL)-OXYMETHYLENE]-PHENYL-ACETIC ACID DERIVATIVES, PROCESSES AND INTERMEDIATE PRODUCTS FOR THEIR PRODUCTION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1996-05-30 — — 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-20060100430-A1 Process for preparation of 2-alkoxy-6-(trifluoromethyl)pyrimidin-4-ol CLCN2, CLIC1, CLIC4 PTGS1 4621/4885PTGS2 4128/4885CYP2C19 2629/4885
US-20060287527-A1 Process for producing acrylic acid derivative APEH, HAAO, ASNS PTGS1 2383/4885PTGS2 2099/4885CYP2C19 863/4885

“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.