Sugi Predict

Sugi Predict / Compounds / SCHEMBL455847

SCHEMBL455847

SCHEMBL455847

[O]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 14/20 0.52
▸ CA1 P00915 13/20 0.50
▸ MMP1 P03956 6/20 0.50
▸ MMP2 P08253 6/20 0.50
▸ MMP9 P14780 6/20 0.50
▸ MMP8 P22894 6/20 0.50
▸ MMP13 P45452 6/20 0.50
▸ F2 P00734 4/20 0.44
▸ PRSS1 P07477 4/20 0.44
▸ PRSS2 P07478 4/20 0.44
▸ PRSS3 P35030 4/20 0.44
▸ THRB P10828 1/20 0.32
▸ LMNA P02545 1/20 0.32

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
SCHEMBL3090693 0.97 CA2 (0.56) CA2CA1MMP1MMP2MMP9
SCHEMBL3082432 0.97 CA2 (0.56) CA2CA1MMP1MMP2MMP9
SCHEMBL3100188 0.97 CA2 (0.56) CA2CA1MMP1MMP2MMP9
SCHEMBL1146132 0.97 CA2 (0.56) CA2CA1MMP1MMP2MMP9
SCHEMBL1766721 0.90 CA2 (0.42) CA2CA1MMP1MMP2MMP9
SCHEMBL774916 0.78 CA2 (0.55) CA2CA1MMP1MMP2MMP9
SCHEMBL135907 0.76 CA2 (0.41) CA2CA1MMP1MMP2MMP9
SCHEMBL9335744 0.75 CA2 (0.59) CA2CA1MMP1MMP2MMP9
SCHEMBL73684 0.75 CA2 (0.52) CA2CA1MMP1MMP2MMP9
SCHEMBL2021790 0.73 CA2 (0.50) CA2CA1MMP1MMP2MMP9

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 1320 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3455224-B1 SUBSTITUTED 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRIDINE-3(2H)-ONES AND 2,5,6,7-TETRAHYDRO-3H-PYRROLO[2,1-C][1,2,4]TRIAZOL-3-ONES, AND USE THEREOF BAYER AG (DE) 2024-03-27 — — EP claimed
EP-4306546-A1 GLYCAN, AND METHOD FOR PRODUCING MEDICINE CONTAINING GLYCAN Daiichi Sankyo Company, Limited (JP) 2024-01-17 — — EP claimed
CN-116917341-A Sugar chain and method for producing pharmaceutical product containing sugar chain 第一三共株式会社 2023-10-20 — — CN claimed
CN-116410145-A Preparation method of MRTX849 intermediate 上海泓博智源医药股份有限公司 2023-07-11 — — CN claimed
EP-3841101-B1 METHOD FOR PREPARING 2-[(3R)-3-METHYLMORPHOLIN-4-YL]-4-[1-METHYL-1H-PYRAZOL-5-YL)-8-(1H-PYRAZOL-5-YL)-1,7-NAPHTHYRIDINE BAYER AG (DE) 2023-05-03 — — EP claimed
EP-3707141-B1 SUBSTITUTED 2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONES AND USE OF SAME BAYER AG (DE) 2021-12-22 — — EP claimed
US-20210253573-A1 METHOD FOR PREPARING 2-[(3R)-3-METHYLMORPHOLIN-4-YL]-4-[1-METHYL-1H-PYRAZOL-5-YL)-8-(1H-PYRAZOL-5-YL)-1,7-NAPHTHYRIDINE BAYER AKTIENGESELLSCHAFT (DE) 2021-08-19 — — US claimed
EP-3841101-A1 METHOD FOR PREPARING 2-[(3R)-3-METHYLMORPHOLIN-4-YL]-4-[1-METHYL-1H-PYRAZOL-5-YL)-8-(1H-PYRAZOL-5-YL)-1,7-NAPHTHYRIDINE Bayer Aktiengesellschaft (DE) 2021-06-30 — — EP claimed
CN-112876404-A Synthesis method of phthalimide trifluoro-methionation reagent 山东领海生物科技有限公司 2021-06-01 — — CN claimed
CN-112778190-A Synthesis method of succinimide type trifluoromethyl sulfide reagent 山东领海生物科技有限公司 2021-05-11 — — CN claimed
US-20030105353-A1 Process for the arylation of olefins LANXESS DEUTSCHLAND GMBH (DE) 2003-06-05 — — US claimed
US-20030018209-A1 Process for the preparation of aromatic nitriles LANXESS DEUTSCHLAND GMBH (DE) 2003-01-23 — — US claimed
EP-1275637-A1 Process for the preparation of aromatic nitriles Bayer Aktiengesellschaft (DE) 2003-01-15 — — EP claimed
WO-2002041889-A2 INDOLSULFONYL COMPOUNDS USEFUL IN THE TREATMENT OF CNS DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2002-05-30 — — WO claimed
US-6284912-B1 Process for synthesizing para-and/or meta-substituted cyanophenyalanine derivatives LG CHEMICAL, LTD. (KR) 2001-09-04 — — US claimed
US-5821357-A REACTING ALPHA-ANOMER ENRICHED 2,2-DIFLUOROCARBOHYDRATE WITH AT LEAST TWO MOLAR EQUIVALENTS OF METAL DERIVATIVE OF NUCLEOBASE IN LOW FREEZING INERT SOLVENT ELI LILLY AND COMPANY (US) 1998-10-13 — — US claimed
EP-0577303-B1 Stereoselective glycosylation process LILLY CO ELI (US) 1997-10-01 — — EP claimed
US-5648473-A GLYCOSYLATION IN SOLVENT ELI LILLY AND COMPANY (US) 1997-07-15 — — US claimed
US-5594124-A REACTING ALPHA-ANOMER ENRICHED 2,2-DIFLUOROCARBOHYDRATE WITH AT LEAST THREE MOLAR EQUIVALENTS OF PROTECTED NUCLEOBASE IN LOW FREEZING INERT SOLVENT ELI LILLY AND COMPANY (US) 1997-01-14 — — US claimed
US-4837307-A [1,1'-biphenyl]compounds having a 2,2'-(alkyl)bridge and a 3-yl(substituted)methyl substituent FMC CORPORATION (US) 1989-06-06 — — US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20030105353-A1 Process for the arylation of olefins NEK6, JUN, AOC2 CA2 4236/4885CA1 4536/4885MMP1 4607/4885
US-20030018209-A1 Process for the preparation of aromatic nitriles AHR, PAH, NISCH CA2 2892/4885CA1 4448/4885MMP1 4748/4885
US-20210253573-A1 METHOD FOR PREPARING 2-[(3R)-3-METHYLMORPHOLIN-4-YL]-4-[1-METHYL-1H-PYRAZOL-5-YL)-8-(1H-PYRAZOL-5-YL)-1,7-NAPHTHYRIDINE CYP1B1, CYP4B1, CYP1A1 CA2 4874/4885CA1 4881/4885MMP1 4343/4885

“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.