SCHEMBL21033835

SCHEMBL21033835

CC(C)N(Cc1ccccc1)S(=O)(=O)F

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.66
ALDH1A1 P00352 3/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP2C9 P11712 1/20 0.47
CA2 P00918 3/20 0.46
FAAH O00519 1/20 0.45
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
ELANE P08246 1/20 0.45
PRTN3 P24158 1/20 0.45
PRSS3 P35030 1/20 0.45
MMP2 P08253 3/20 0.44
MMP9 P14780 3/20 0.44
MMP8 P22894 3/20 0.44
MMP13 P45452 3/20 0.44
CA1 P00915 2/20 0.44
MMP1 P03956 2/20 0.44

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
SCHEMBL24571678 0.82 TSHR (0.68) TSHRALDH1A1GAAHTTMEN1
SCHEMBL24391645 0.81 TSHR (0.66) TSHRALDH1A1GAAHTTMEN1
SCHEMBL5192024 0.79 HTT (0.67) TSHRALDH1A1GAAHTTCYP2C9
SCHEMBL21034100 0.75 TSHR (0.58) TSHRALDH1A1GAAHTTMEN1
SCHEMBL608453 0.74 TSHR (0.54) TSHRALDH1A1MEN1KMT2ACA2
SCHEMBL17784998 0.74 TSHR (0.57) TSHRALDH1A1GAAHTTMEN1
SCHEMBL21033829 0.73 L3MBTL1 (0.57) TSHRALDH1A1CA2FAAHPRSS1
SCHEMBL13264499 0.73 TSHR (0.56) TSHRALDH1A1GAAHTTMEN1
Hydrochloric Acid SCHEMBL27658035 0.73 TSHR (0.52) TSHRALDH1A1MEN1KMT2ACA2
SCHEMBL9990734 0.72 MEN1 (0.50) TSHRALDH1A1MEN1KMT2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TSHR 4469/4885ALDH1A1 161/4885GAA 1009/4885
US-20200369619-A1 FLUOROSULFONYL-CONTAINING COMPOUND, INTERMEDIATE THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF WEE1, NOTUM, WEE2 TSHR 4657/4885ALDH1A1 218/4885GAA 1837/4885
US-11091442-B2 Fluorosulfonyl-containing compound, intermediate thereof, preparation method therefor and use thereof WEE1, NOTUM, WEE2 TSHR 4657/4885ALDH1A1 218/4885GAA 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.