SCHEMBL21034100

SCHEMBL21034100

CC(C)N(Cc1ccccc1)S(=O)(=O)Nc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
HTT P42858 2/20 0.51
NR3C2 P08235 1/20 0.48
AR P10275 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 3/20 0.46
GAA P10253 1/20 0.46
NR3C1 P04150 1/20 0.46
LIMK1 P53667 3/20 0.45
LIMK2 P53671 2/20 0.45
ABL1 P00519 1/20 0.45
LCK P06239 1/20 0.45
KEAP1 Q14145 1/20 0.44
RORC P51449 2/20 0.44
LMNA P02545 1/20 0.43
ADRB2 P07550 1/20 0.43
MAPT P10636 1/20 0.43
RORA P35398 1/20 0.43
NR1H2 P55055 1/20 0.43

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
SCHEMBL15212712 0.79 CA2 (0.55) HTTNR3C2ARMEN1KMT2A
SCHEMBL17784998 0.79 TSHR (0.57) TSHRHTTMEN1KMT2AALDH1A1
SCHEMBL24571678 0.77 TSHR (0.68) TSHRHTTMEN1KMT2AALDH1A1
SCHEMBL28749867 0.76 TSHR (0.54) TSHRHTTMEN1KMT2AALDH1A1
SCHEMBL21033835 0.75 TSHR (0.66) TSHRHTTMEN1KMT2AALDH1A1
SCHEMBL24391645 0.75 TSHR (0.66) TSHRHTTMEN1KMT2AALDH1A1
SCHEMBL5192024 0.74 HTT (0.67) TSHRHTTALDH1A1GAARORC
SCHEMBL460093 0.70 HPGD (0.70) TSHRHTTARMEN1KMT2A
SCHEMBL10532103 0.69 KEAP1 (0.52) TSHRHTTNR3C2ARMEN1
SCHEMBL8808313 0.68 MAPK1 (0.50) TSHRNR3C2MEN1KMT2AALDH1A1

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 5 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-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
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
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 4469/4885HTT 3998/4885NR3C2 3286/4885
US-20200369619-A1 FLUOROSULFONYL-CONTAINING COMPOUND, INTERMEDIATE THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF WEE1, NOTUM, WEE2 TSHR 4657/4885HTT 3421/4885NR3C2 3874/4885
US-11091442-B2 Fluorosulfonyl-containing compound, intermediate thereof, preparation method therefor and use thereof WEE1, NOTUM, WEE2 TSHR 4657/4885HTT 3421/4885NR3C2 3874/4885

“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.