SCHEMBL21034433

SCHEMBL21034433

Cc1cccc(C2CCCN2S(=O)(=O)F)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.45
ALDH1A1 P00352 3/20 0.43
DRD2 P14416 2/20 0.43
DRD3 P35462 2/20 0.43
DRD1 P21728 1/20 0.43
DRD4 P21917 1/20 0.43
DRD5 P21918 1/20 0.43
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.41
RIPK1 Q13546 1/20 0.40
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
HTR7 P34969 1/20 0.40
MAOB P27338 1/20 0.40
GAA P10253 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39

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
SCHEMBL6178957 0.82 TRPA1 (0.56) TRPA1ALDH1A1DRD2DRD3MAPT
SCHEMBL6178952 0.82 TRPA1 (0.56) TRPA1ALDH1A1DRD2DRD3MAPT
SCHEMBL21033831 0.82 TRPA1 (0.54) TRPA1ALDH1A1GAAPSEN1PSEN2
SCHEMBL6176638 0.82 TRPA1 (0.70) TRPA1ALDH1A1MAPTKMT2ALMNA
SCHEMBL6176643 0.82 TRPA1 (0.70) TRPA1ALDH1A1MAPTKMT2ALMNA
SCHEMBL6179250 0.79 PSEN1 (0.67) TRPA1ALDH1A1MAPTLMNAPSEN1
SCHEMBL6179258 0.79 PSEN1 (0.67) TRPA1ALDH1A1MAPTLMNAPSEN1
SCHEMBL3942005 0.78 TRPA1 (0.64) TRPA1ALDH1A1MAPTKMT2ALMNA
SCHEMBL28330087 0.77 PSEN1 (0.61) TRPA1ALDH1A1KMT2ALMNARIPK1
SCHEMBL6180591 0.76 TRPA1 (0.48) TRPA1ALDH1A1DRD2DRD3MAPT

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 13 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-20210207175-A1 COMPOUND FOR REGULATING GENE EDITING EFFICIENCY AND APPLICATION THEREOF SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2021-07-08 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
CN-107857730-B A kind of fluorosulfonyl group-containing compound, wherein mesosome, preparation method and application 中国科学院上海有机化学研究所 2019-10-15 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 (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-11046653-B2 CYP4F11, NOTUM, CYP2F1 TRPA1 948/4885ALDH1A1 161/4885DRD2 3499/4885
US-20210207175-A1 COMPOUND FOR REGULATING GENE EDITING EFFICIENCY AND APPLICATION THEREOF TET2, ZFX, ZFR TRPA1 4287/4885ALDH1A1 573/4885DRD2 2467/4885
US-20200369619-A1 FLUOROSULFONYL-CONTAINING COMPOUND, INTERMEDIATE THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF WEE1, NOTUM, WEE2 TRPA1 1083/4885ALDH1A1 218/4885DRD2 3707/4885
US-11091442-B2 Fluorosulfonyl-containing compound, intermediate thereof, preparation method therefor and use thereof WEE1, NOTUM, WEE2 TRPA1 1083/4885ALDH1A1 218/4885DRD2 3707/4885

“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.