SCHEMBL21033840

SCHEMBL21033840

CC(=O)c1c(OS(=O)(=O)F)ccc2c(C)cc(=O)oc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.62
KMT2A Q03164 7/20 0.57
GAA P10253 5/20 0.57
MAPT P10636 4/20 0.57
LMNA P02545 2/20 0.56
ALDH1A1 P00352 3/20 0.55
ALPL P05186 5/20 0.54
HSD17B10 Q99714 4/20 0.54
TSHR P16473 2/20 0.54
CYP1A2 P05177 1/20 0.54
MEN1 O00255 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ALPI P09923 3/20 0.52
HTR1A P08908 3/20 0.52
HTR2A P28223 2/20 0.52
MCL1 Q07820 1/20 0.51
HPGD P15428 3/20 0.50
GLA P06280 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CASP1 P29466 1/20 0.50

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
SCHEMBL27079801 0.81 KDM4E (0.79) KDM4EKMT2AGAAMAPTLMNA
SCHEMBL22475349 0.81 KDM4E (0.64) KDM4EKMT2AGAAMAPTLMNA
SCHEMBL13609741 0.78 KMT2A (0.64) KDM4EKMT2AGAAMAPTLMNA
SCHEMBL29963486 0.77 KDM4E (1.00) KDM4EKMT2AGAAMAPTLMNA
SCHEMBL27079807 0.77 KDM4E (1.00) KDM4EKMT2AGAAMAPTLMNA
SCHEMBL29749855 0.76 MAOB (0.67) KDM4EKMT2AGAAMAPTLMNA
SCHEMBL31006160 0.76 KDM4E (0.61) KDM4EKMT2AGAAMAPTLMNA
SCHEMBL4383562 0.76 MAOB (0.67) KDM4EKMT2AGAAMAPTLMNA
SCHEMBL6901789 0.75 KDM4E (0.74) KDM4EKMT2AGAAMAPTLMNA
SCHEMBL6905408 0.75 KDM4E (0.70) KDM4EKMT2AGAAMAPTLMNA

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
EP-3715342-B1 FLUOROSULFONYL-CONTAINING COMPOUND, INTERMEDIATE THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF ZHONGHONGXIN INVEST HOLDINGS SHENZHEN CO LTD (CN) 2024-08-07 EP disclosed
US-11091442-B2 Fluorosulfonyl-containing compound, intermediate thereof, preparation method therefor and use thereof SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2021-08-17 US disclosed
US-11091442-B2 Fluorosulfonyl-containing compound, intermediate thereof, preparation method therefor and use thereof SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2021-08-17 US disclosed
US-11046653-B2 2021-06-29 US disclosed
US-11046653-B2 2021-06-29 US disclosed
US-20200369619-A1 FLUOROSULFONYL-CONTAINING COMPOUND, INTERMEDIATE THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2020-11-26 US disclosed
US-20200369619-A1 FLUOROSULFONYL-CONTAINING COMPOUND, INTERMEDIATE THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2020-11-26 US disclosed
EP-3715342-A1 FLUOROSULFONYL-CONTAINING COMPOUND, INTERMEDIATE THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2020-09-30 EP disclosed
EP-3715342-A1 FLUOROSULFONYL-CONTAINING COMPOUND, INTERMEDIATE THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2020-09-30 EP disclosed
CN-110590609-A Fluorine-containing sulfonyl compound, intermediate, preparation method and application thereof 中国科学院上海有机化学研究所 2019-12-20 CN disclosed
WO-2019101132-A1 FLUOROSULFONYL-CONTAINING COMPOUND, INTERMEDIATE THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF 中国科学院上海有机化学研究所 2019-05-31 WO 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 (3 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-11046653-B2 CYP4F11, NOTUM, CYP2F1 KDM4E 1071/4885KMT2A 1205/4885GAA 1009/4885
US-20200369619-A1 FLUOROSULFONYL-CONTAINING COMPOUND, INTERMEDIATE THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF WEE1, NOTUM, WEE2 KDM4E 1287/4885KMT2A 950/4885GAA 1837/4885
US-11091442-B2 Fluorosulfonyl-containing compound, intermediate thereof, preparation method therefor and use thereof WEE1, NOTUM, WEE2 KDM4E 1287/4885KMT2A 950/4885GAA 1837/4885

“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.