SCHEMBL513896

SCHEMBL513896

O=[C]Oc1ccc(C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 1/20 0.48
KIF11 P52732 4/20 0.44
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAOB P27338 5/20 0.39
TRPV1 Q8NER1 1/20 0.39
TSHR P16473 1/20 0.39
EPHX2 P34913 1/20 0.38

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
SCHEMBL2090940 0.83 CA1 (0.33) CA1CA2CA9KIF11
SCHEMBL8142070 0.80 CA2 (0.32) CA1CA2CA9
SCHEMBL7779083 0.77 TSHR (0.39) TSHR
SCHEMBL54727 0.77 CA1 (0.48) CA1CA2CA9KIF11ALDH1A1
SCHEMBL514130 0.77 EPHX2 (0.47) KIF11CES1ALDH1A1TRPV1TSHR
SCHEMBL4376536 0.77 KIF11 (0.47) CA1CA2CA9KIF11CES2
SCHEMBL2090157 0.77 SOD1 (0.43) CA1CA2CA9CES2ALDH1A1
Hydrogen Sulfide SCHEMBL28175895 0.76 KIF11 (0.45) CA1CA2CA9KIF11CES2
SCHEMBL195031 0.75 KDM4E (0.46) KIF11CES2ALDH1A1MAOBTSHR
SCHEMBL2091695 0.74 EPHX2 (0.32) EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2636669-B1 PYRAZOLE AMIDE COMPOUND AND USE THEREOF AS FUNGICIDE SINOCHEM CORP (CN) 2015-10-21 EP claimed
US-8614214-B2 Pyrazole amide compounds and uses thereof SINOCHEM CORPORATION (CN) 2013-12-24 US claimed
EP-2636669-A1 PYRAZOLE AMIDE COMPOUND AND USE THEREOF Sinochem Corporation (CN) 2013-09-11 EP claimed
US-20130225585-A1 PYRAZOLE AMIDE COMPOUNDS AND USES THEREOF SHENYANG RESEARCH INSTITUTE OF CHEMICAL INDUSTRY CO., LTD. (CN) 2013-08-29 US claimed
EP-1019378-B1 HYPOGLYCEMIC AND HYPOLIPIDEMIC COMPOUNDS LILLY CO ELI (US) 2004-09-29 EP claimed
US-6541497-B1 Amino acid derivatives of benzoxazin-2-ylaminoalkoxyphenylalkyl compounds ELI LILLY AND COMPANY 2003-04-01 US claimed
US-6353027-B1 ENANTIOMORPHIC AMINE DERIVATIVES FOR TREATMENT OF DIABETES ELI LILLY AND COMPANY 2002-03-05 US claimed
US-6194446-B1 NON-INSULIN DEPENDENT DIABETES ELI LILLY AND COMPANY 2001-02-27 US claimed
US-6121282-A 3-(CARBOXY, AMIDO, CYANO, OR HYDROXYAMINOCARBONYL)-6 OR 7-SUBSTITUTED-1,2,3,4-TETRAHYDROISOQUINOLINE COMPOUNDS ELI LILLY AND COMPANY (US) 2000-09-19 US claimed
EP-0354297-B1 THIADIAZINES, PROCESS FOR PRODUCTION THEREOF, AND INSECTICIDAL AND ACARICIDAL AGENTS COMPRISING THE THIADIAZINES MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-08-05 EP claimed
US-20240182463-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO., LTD. (JP) 2024-06-06 US disclosed
US-20230117695-A1 ARENAVIRUS GROWTH INHIBITOR COMPRISING POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2023-04-20 US disclosed
US-11492352-B2 Arenavirus growth inhibitor comprising polycyclic carbamoylpyridone derivative NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2022-11-08 US disclosed
US-20210292321-A1 ARENAVIRUS GROWTH INHIBITOR COMPRISING POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2021-09-23 US disclosed
EP-3815689-A1 ARENAVIRUS GROWTH INHIBITOR COMPRISING POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE National University Corporation Hokkaido University (JP) 2021-05-05 EP disclosed
US-4795815-A BACTERICIDES, MICROBIOCIDES ELI LILLY AND COMPANY (US) 1989-01-03 US disclosed
US-4716232-A 1-(vinyl phosphonate adduct) pyrazolidinones ELI LILLY AND COMPANY (US) 1987-12-29 US disclosed
EP-0203722-A1 Bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1986-12-03 EP disclosed
EP-0202794-A1 7-Substituted-2,3-(Dihydro) bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1986-11-26 EP disclosed
EP-0202046-A1 7-Substituted bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1986-11-20 EP 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 (5 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-11492352-B2 Arenavirus growth inhibitor comprising polycyclic carbamoylpyridone derivative LUC7L2, CXCR6, RRP12 CA1 797/4885CA2 1027/4885CA9 1134/4885
US-20130225585-A1 PYRAZOLE AMIDE COMPOUNDS AND USES THEREOF BROX, OAT, CAT CA1 2739/4885CA2 3693/4885CA9 2497/4885
US-20240182463-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG PREP, UNG, DPP4 CA1 1892/4885CA2 1644/4885CA9 1627/4885
US-20230117695-A1 ARENAVIRUS GROWTH INHIBITOR COMPRISING POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE CDK7, CCNA1, CCR10 CA1 1379/4885CA2 1543/4885CA9 1638/4885
US-20210292321-A1 ARENAVIRUS GROWTH INHIBITOR COMPRISING POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE CCNA1, CDK7, CCR10 CA1 1258/4885CA2 1532/4885CA9 1697/4885

“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.