SCHEMBL2234029

SCHEMBL2234029

Cc1ccc(S(=O)(=O)Oc2ccc(C#N)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.54
CA1 P00915 2/20 0.54
CA9 Q16790 2/20 0.54
ALDH1A1 P00352 3/20 0.53
CYP2A6 P11509 1/20 0.53
BCHE P06276 1/20 0.50
ACHE P22303 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
CA12 O43570 2/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
PPARG P37231 1/20 0.47
ENPP3 O14638 2/20 0.46
ENPP1 P22413 2/20 0.46
ENPP2 Q13822 2/20 0.46
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL22558332 1.00 CA2 (0.54) CA2CA1CA9ALDH1A1CYP2A6
SCHEMBL8411274 0.87 CA1 (0.54) CA2CA1CA9HTTLMNA
SCHEMBL1196442 0.86 MEN1 (0.60) CA2ALDH1A1KMT2AMEN1CA12
SCHEMBL4126086 0.86 MEN1 (0.60) CA2CA1CA9ALDH1A1KMT2A
SCHEMBL9852204 0.86 MEN1 (0.60) CA2CA1CA9ALDH1A1KMT2A
SCHEMBL18179825 0.86 MEN1 (0.60) CA2CA1CA9ALDH1A1KMT2A
SCHEMBL8926657 0.85 MEN1 (0.50) CA2CA1CA9ALDH1A1KMT2A
SCHEMBL11569651 0.84 GAA (0.58) CA2CA1CA9ALDH1A1KMT2A
Iodide SCHEMBL22068772 0.84 CA2 (0.59) CA2CA1CA9ALDH1A1KMT2A
SCHEMBL8058025 0.83 ENPP2 (0.49) CA2CA1CA9ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2949655-B1 REACTION CATALYST FOR CROSS COUPLING AND METHOD FOR MANUFACTURING AROMATIC COMPOUND HOKKO CHEM IND CO (JP) 2019-05-15 EP disclosed
US-9895454-B2 Metal oxide catalyzed radiofluorination THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-02-20 US disclosed
US-9895454-B2 Metal oxide catalyzed radiofluorination THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-02-20 US disclosed
US-9895454-B2 Metal oxide catalyzed radiofluorination THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-02-20 US disclosed
US-20170224851-A1 METAL OXIDE CATALYZED RADIOFLUORINATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-08-10 US disclosed
US-20170224851-A1 METAL OXIDE CATALYZED RADIOFLUORINATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-08-10 US disclosed
US-20170224851-A1 METAL OXIDE CATALYZED RADIOFLUORINATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-08-10 US disclosed
US-9707551-B2 Reaction catalyst for cross-coupling and method for manufacturing aromatic compound HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2017-07-18 US disclosed
EP-1581467-B1 LIGANDS FOR METALS AND IMPROVED METAL-CATALYZED PROCESSES BASED THEREON MASSACHUSETTS INST TECHNOLOGY (US) 2016-10-12 EP disclosed
EP-2583958-B1 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INST TECHNOLOGY (US) 2016-08-10 EP disclosed
US-7223879-B2 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-05-29 US disclosed
US-6235938-B1 ARYLATION IN THE PRESENCE OF A BASE AND TRANSITION METAL CATALYSTS TO FORM N-ARYLAMINE AND GROUP 8 METAL YALE UNIVERSITY 2001-05-22 US disclosed
EP-0519299-B1 Positive-working radiation-sensitive composition and radiation-sensitive recording material produced therewith CLARIANT GMBH (DE) 1999-08-11 EP disclosed
EP-0519298-B1 Radiation-sensitive sulfonic acid esters and their use HOECHST AG (DE) 1995-09-13 EP disclosed
US-5442061-A Recording, photoresists, printing plates HOECHST AKTIENGESELLSCHAFT (DE) 1995-08-15 US disclosed
US-5364734-A Sulfonated triazines HOECHST AKTIENGESELLSCHAFT (DE) 1994-11-15 US disclosed
US-5298364-A Negative photoresists, acid crosslinking HOECHST AKTIENGESELLSCHAFT (DE) 1994-03-29 US disclosed
EP-0519298-A1 Radiation-sensitive sulfonic acid esters and their use HOECHST AKTIENGESELLSCHAFT (DE) 1992-12-23 EP disclosed
EP-0519299-A1 Positive-working radiation-sensitive composition and radiation-sensitive recording material produced therewith HOECHST AKTIENGESELLSCHAFT (DE) 1992-12-23 EP disclosed
US-5166403-A Liquid crystals SHOWA DENKO K.K. (JP) 1992-11-24 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 (1 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-20170224851-A1 METAL OXIDE CATALYZED RADIOFLUORINATION TRHDE, TPO, TERT CA2 95/4885CA1 29/4885CA9 20/4885

“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.