SCHEMBL752015

SCHEMBL752015

Cc1ccc(OS(=O)(=O)C(F)(F)F)cn1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.39
KMT2A Q03164 3/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
CXCR1 P25024 1/20 0.38
MAPT P10636 1/20 0.37
HSD11B1 P28845 1/20 0.36
PTGS2 P35354 2/20 0.35
MEN1 O00255 1/20 0.35
HTR1A P08908 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
DRD2 P14416 1/20 0.35
DRD1 P21728 1/20 0.35
DRD4 P21917 1/20 0.35
DRD5 P21918 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL22166048 0.88 CXCR2 (0.37) CXCR2CA1CA2SLC22A12CXCR1
SCHEMBL17129795 0.81 KMT2A (0.44) KMT2ACA1CA2MAPTPTGS2
SCHEMBL6852624 0.81 CA1 (0.40) CXCR2CA1CA2CXCR1HSD11B1
SCHEMBL7952665 0.80 CA1 (0.39) CXCR2CA1CA2CXCR1MAPT
SCHEMBL25319004 0.80 PTGS2 (0.44) KMT2ACA1CA2SLC22A12HSD11B1
SCHEMBL31097874 0.80 PTGS2 (0.44) KMT2ACA1CA2SLC22A12HSD11B1
SCHEMBL31555352 0.80 PTGS2 (0.44) KMT2ACA1CA2SLC22A12HSD11B1
SCHEMBL22444656 0.79 SLC22A12 (0.43) CXCR2CA1CA2SLC22A12CXCR1
SCHEMBL1473557 0.79 PTPRZ1 (0.38) CXCR2CA1CA2CXCR1HSD11B1
SCHEMBL16854837 0.78 CXCR2 (0.43) CXCR2CA1CA2CXCR1HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8664402-B2 Process for preparing 1-(6-methylpyridin-3-yl)-2-[4-(methylsulfonyl)phenyl]ethanone, an intermediate of etoricoxib F.I.S. FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2014-03-04 US claimed
EP-2497767-B1 Improved process for preparing 1-(6-methylpyridin-3-yl)-2-[4-(methylsulfonyl)phenyl]ethanone, an intermediate of etoricoxib ITALIANA SINT SPA (IT) 2013-05-29 EP claimed
US-20120232281-A1 PROCESS FOR PREPARING 1-(6-METHYLPYRIDIN-3-YL)-2-[4-(METHYLSULFONYL)PHENYL]ETHANONE, AN INTERMEDIATE OF ETORICOXIB F.I.S. FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2012-09-13 US claimed
EP-2497767-A1 Improved process for preparing 1-(6-methylpyridin-3-yl)-2-[4-(methylsulfonyl)phenyl]ethanone, an intermediate of etoricoxib F.I.S. Fabbrica Italiana Sintetici S.p.A. (IT) 2012-09-12 EP claimed
US-20240376044-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2024-11-14 US disclosed
US-12071396-B2 Method for preparing aromatic amino acid derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-08-27 US disclosed
US-11505541-B2 Protein kinase C inhibitors and methods of their use NOVARTIS AG (CH) 2022-11-22 US disclosed
US-20220144762-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2022-05-12 US disclosed
US-20220119347-A1 BIARYL COMPOSITIONS IN COMBINATION WITH TAMOXIFEN AND METHODS FOR MODULATING A KINASE CASCADE SAGARD HEALTHCARE ROYALTY PARTNERS, LP, AS ADMINISTRATIVE AGENT (CA) 2022-04-21 US disclosed
EP-3939962-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2022-01-19 EP disclosed
US-20210387962-A1 PROTEIN KINASE C INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2021-12-16 US disclosed
CN-113692401-A Process for producing aromatic amino acid derivative 中外制药株式会社 2021-11-23 CN disclosed
US-5149699-A Substituted pyridopyrimidines useful as antgiotensin II antagonists AMERICAN HOME PRODUCTS CORPORATION (US) 1992-09-22 US disclosed
US-4975438-A ANTICOAGULANT HOFFMANN-LA ROCHE INC. (US) 1990-12-04 US disclosed
US-4927838-A CARDIOVASCULAR DISORDERS HOFFMAN-LA ROCHE INC. (US) 1990-05-22 US disclosed
US-4927826-A Cycloproylpropenamides useful as platelet activing factor (PAF) antagonists HOFFMAN-LA ROCHE INC. (US) 1990-05-22 US disclosed
US-4916145-A PLATELET ACTIVATING FACTOR ANTAGONISTS HOFFMANN-LA ROCHE INC. (US) 1990-04-10 US disclosed
EP-0299379-A1 Pentadienamide PAF-antagonists F. HOFFMANN-LA ROCHE AG (CH) 1989-01-18 EP disclosed
US-4788206-A CARDIOVASCULAR DISORDERS, PLATELETS HOFFMANN-LA ROCHE INC. (US) 1988-11-29 US disclosed
US-4786646-A PLATELET ACTIVATING FACTOR ANTAGONISTS HOFFMANN-LA ROCHE INC. (US) 1988-11-22 US 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 (7 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-20220119347-A1 BIARYL COMPOSITIONS IN COMBINATION WITH TAMOXIFEN AND METHODS FOR MODULATING A KINASE CASCADE MAP3K2, MAP3K6, MAP3K8 CXCR2 921/4885KMT2A 1238/4885CA1 3950/4885
US-20210387962-A1 PROTEIN KINASE C INHIBITORS AND METHODS OF THEIR USE PRKCA, PRKCB, PRKCH CXCR2 3195/4885KMT2A 1521/4885CA1 3663/4885
US-11505541-B2 Protein kinase C inhibitors and methods of their use PRKCA, PRKCB, PRKCH CXCR2 3195/4885KMT2A 1521/4885CA1 3663/4885
US-20240376044-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE DDC, AADAT, TYR CXCR2 4458/4885KMT2A 355/4885CA1 1106/4885
US-20120232281-A1 PROCESS FOR PREPARING 1-(6-METHYLPYRIDIN-3-YL)-2-[4-(METHYLSULFONYL)PHENYL]ETHANONE, AN INTERMEDIATE OF ETORICOXIB EEF2K, PTGES, EIF2AK1 CXCR2 2694/4885KMT2A 569/4885CA1 3375/4885
US-20220144762-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE DDC, AADAT, TYR CXCR2 4458/4885KMT2A 355/4885CA1 1106/4885
US-12071396-B2 Method for preparing aromatic amino acid derivative DDC, AADAT, TYR CXCR2 4458/4885KMT2A 355/4885CA1 1106/4885

“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.