SCHEMBL3026425

SCHEMBL3026425

CCOS(=O)(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.48
KMT2A Q03164 1/20 0.46
KIF11 P52732 2/20 0.46
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
ALDH1A1 P00352 1/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
CA9 Q16790 1/20 0.42
PTGS1 P23219 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
OXTR P30559 1/20 0.41
AVPR1A P37288 1/20 0.41
NOX4 Q9NPH5 1/20 0.41
MMP1 P03956 2/20 0.41
CYP19A1 P11511 1/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL6114563 0.85 PTGS2 (0.50) PTGS2KMT2AKIF11CA1CA2
SCHEMBL8394618 0.83 ALDH1A1 (0.52) KMT2ACA1CA2ALDH1A1BCHE
SCHEMBL21595326 0.83 PTGS2 (0.49) PTGS2KMT2AKIF11CA1CA2
SCHEMBL3036379 0.83 PTGS2 (0.50) PTGS2KMT2AKIF11CA1CA2
SCHEMBL28638935 0.81 HSD11B1 (0.35) PTGS2KMT2ACA1CA2ALDH1A1
SCHEMBL15000821 0.81 ALDH1A1 (0.54) PTGS2KMT2AKIF11CA1CA2
SCHEMBL28366767 0.80 PTGS2 (0.48) PTGS2KMT2AKIF11CA1CA2
SCHEMBL11888416 0.79 BCHE (0.48) PTGS2KIF11BCHEACHEPTGS1
SCHEMBL3938489 0.79 KIF11 (0.43) PTGS2KMT2AKIF11CA1CA2
SCHEMBL2267244 0.79 CA1 (0.45) PTGS2KMT2ACA1CA2ALDH1A1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024006773-A1 METHODS OF PREPARING HETEROARYL-KETONE FUSED AZADECALIN GLUCOCORTICOID RECEPTOR MODULATORS CORCEPT THERAPEUTICS INCORPORATED (US) 2024-01-04 WO claimed
WO-2024006773-A1 METHODS OF PREPARING HETEROARYL-KETONE FUSED AZADECALIN GLUCOCORTICOID RECEPTOR MODULATORS CORCEPT THERAPEUTICS INCORPORATED (US) 2024-01-04 WO disclosed
US-20230416250-A1 METHODS OF PREPARING HETEROARYL-KETONE FUSED AZADECALIN GLUCOCORTICOID RECEPTOR MODULATORS CORCEPT THERAPEUTICS INCORPORATED 2023-12-28 US disclosed
EP-4185296-A1 ADENOSINE A2A AND A2B RECEPTOR DUAL ANTAGONISTS FOR IMMUNO-ONCOLOGY Merck Sharp & Dohme LLC (US) 2023-05-31 EP disclosed
US-8591757-B2 Electrolyte composition and ionic liquid KANEKA CORPORATION (JP) 2013-11-26 US disclosed
US-8389564-B2 Proteasome inhibitors TRIPHASE RESEARCH AND DEVELOPMENT I CORP. (CA) 2013-03-05 US disclosed
US-20120270919-A1 PROTEASOME INHIBITORS NEREUS PHARMACEUTICALS, INC. (US) 2012-10-25 US disclosed
US-8227503-B2 Proteasome inhibitors NEREUS PHARMACEUTICALS, INC. (US) 2012-07-24 US disclosed
US-20110172285-A1 PROTEASOME INHIBITORS NEREUS PHARMACEUTICALS, INC. (US) 2011-07-14 US disclosed
US-7910616-B2 Proteasome inhibitors NEREUS PHARMACEUTICALS, INC. (US) 2011-03-22 US disclosed
US-20100213402-A1 ELECTROLYTE COMPOSITION AND IONIC LIQUID KANEKA CORPORATION (JP) 2010-08-26 US disclosed
US-20090298906-A1 PROTEASOME INHIBITORS NEREUS PHARMACEUTICALS, INC. (US) 2009-12-03 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 (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-20120270919-A1 PROTEASOME INHIBITORS PSMB1, PSME1, PSME3 PTGS2 2304/4885KMT2A 1924/4885KIF11 3427/4885
US-20230416250-A1 METHODS OF PREPARING HETEROARYL-KETONE FUSED AZADECALIN GLUCOCORTICOID RECEPTOR MODULATORS NR3C1, NR3C2, NR5A1 PTGS2 1099/4885KMT2A 2066/4885KIF11 2345/4885
US-20090298906-A1 PROTEASOME INHIBITORS PSMB1, PSME1, PSME3 PTGS2 2304/4885KMT2A 1924/4885KIF11 3427/4885
US-20110172285-A1 PROTEASOME INHIBITORS PSMB1, PSME1, PSME3 PTGS2 2304/4885KMT2A 1924/4885KIF11 3427/4885

“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.