SCHEMBL14716716

SCHEMBL14716716

CC(C)(C)S(=O)(=O)c1ccccc1I

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 2/20 0.39
ALOX15 P16050 1/20 0.38
LMNA P02545 1/20 0.36
HTR6 P50406 4/20 0.33
GAA P10253 1/20 0.33
ITGAV P06756 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA4 P22748 2/20 0.32
CA6 P23280 2/20 0.32
CA12 O43570 1/20 0.32
CYP2C9 P11712 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
HTR1A P08908 1/20 0.32
HTR7 P34969 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
SCHEMBL8716804 0.83 L3MBTL1 (0.50) L3MBTL1ALDH1A1ALOX15LMNAHTR6
SCHEMBL648702 0.76 BCAT2 (0.40) L3MBTL1HTR6GAACA1CA2
SCHEMBL1682100 0.75 GAA (0.50) HTR6GAAITGAVCA1CA2
SCHEMBL13268425 0.74 L3MBTL1 (0.43) L3MBTL1ALDH1A1ALOX15LMNAGAA
SCHEMBL13900914 0.74 L3MBTL1 (0.43) L3MBTL1ALDH1A1ALOX15LMNAGAA
SCHEMBL9745397 0.73 GAA (0.37) HTR6GAAITGAVCA1CA2
SCHEMBL7430693 0.73 GAA (0.37) HTR6GAAITGAVCA1CA2
SCHEMBL15915761 0.73 CA1 (0.58) L3MBTL1ALDH1A1ALOX15CA1CA2
SCHEMBL12666580 0.73 HSD11B1 (0.45) L3MBTL1ALDH1A1ALOX5APFEN1HSD11B1
SCHEMBL13597685 0.73 HSD11B1 (0.53) L3MBTL1ALDH1A1LMNAGAAHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10487099-B2 Synthesis of hypervalent iodine reagents with dioxygen THE TEXAS A&M UNIVERSITY SYSTEM (US) 2019-11-26 US claimed
US-10974235-B2 Targeted, metal-catalyzed fluorination of complex compounds with fluoride ion via decarboxylation TRUSTEES OF PRINCETON UNIVERSITY (US) 2021-04-13 US disclosed
US-20200108380-A1 TARGETED, METAL-CATALYZED FLUORINATION OF COMPLEX COMPOUNDS WITH FLUORIDE ION VIA DECARBOXYLATION THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2020-04-09 US disclosed
US-10543481-B2 Targeted, metal-catalyzed fluorination of complex compounds with fluoride ion via decarboxylation TRUSTEES OF PRINCETON UNIVESITY (US) 2020-01-28 US disclosed
US-10487099-B2 Synthesis of hypervalent iodine reagents with dioxygen THE TEXAS A&M UNIVERSITY SYSTEM (US) 2019-11-26 US disclosed
US-20190002487-A1 SYNTHESIS OF HYPERVALENT IODINE REAGENTS WITH DIOXYGEN THE TEXAS A&M UNIVERSITY SYSTEM (US) 2019-01-03 US disclosed
US-20180037526-A1 TARGETED, METAL-CATALYZED FLUORINATION OF COMPLEX COMPOUNDS WITH FLUORIDE ION VIA DECARBOXYLATION THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2018-02-08 US disclosed
US-9675923-B2 Gas separations with redox-active metal-organic frameworks THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-06-13 US disclosed
WO-2016130549-A1 TARGETED, METAL-CATALYZED FLUORINATION OF COMPLEX COMPOUNDS WITH FLUORIDE ION VIA DECARBOXYLATION THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2016-08-18 WO disclosed
US-20160158388-A1 TARGETED, METAL-CATALYZED FLUORINATION OF COMPLEX COMPOUNDS WITH FLUORIDE ION VIA DECARBOXYLATION THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2016-06-09 US disclosed
US-20130053585-A1 GAS SEPARATIONS WITH REDOX-ACTIVE METAL-ORGANIC FRAMEWORKS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-02-28 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-20160158388-A1 TARGETED, METAL-CATALYZED FLUORINATION OF COMPLEX COMPOUNDS WITH FLUORIDE ION VIA DECARBOXYLATION AFF2, CLTC, AFF4 L3MBTL1 4319/4885ALDH1A1 2126/4885ALOX15 3161/4885
US-10543481-B2 Targeted, metal-catalyzed fluorination of complex compounds with fluoride ion via decarboxylation AFF2, CLTC, AFF4 L3MBTL1 4319/4885ALDH1A1 2126/4885ALOX15 3161/4885
US-20180037526-A1 TARGETED, METAL-CATALYZED FLUORINATION OF COMPLEX COMPOUNDS WITH FLUORIDE ION VIA DECARBOXYLATION AFF2, CLTC, AFF4 L3MBTL1 4319/4885ALDH1A1 2126/4885ALOX15 3161/4885
US-20190002487-A1 SYNTHESIS OF HYPERVALENT IODINE REAGENTS WITH DIOXYGEN TPO, HAO2, OGFOD1 L3MBTL1 3248/4885ALDH1A1 1554/4885ALOX15 1874/4885
US-10974235-B2 Targeted, metal-catalyzed fluorination of complex compounds with fluoride ion via decarboxylation AFF2, CLTC, AFF4 L3MBTL1 4319/4885ALDH1A1 2126/4885ALOX15 3161/4885
US-20200108380-A1 TARGETED, METAL-CATALYZED FLUORINATION OF COMPLEX COMPOUNDS WITH FLUORIDE ION VIA DECARBOXYLATION AFF2, CLTC, AFF4 L3MBTL1 4319/4885ALDH1A1 2126/4885ALOX15 3161/4885
US-10487099-B2 Synthesis of hypervalent iodine reagents with dioxygen TPO, HAO2, OGFOD1 L3MBTL1 3248/4885ALDH1A1 1554/4885ALOX15 1874/4885

“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.