SCHEMBL21034352

SCHEMBL21034352

O=S(=O)(F)NCCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.59
PRMT1 Q99873 2/20 0.54
HSD17B10 Q99714 1/20 0.54
ALDH1A1 P00352 3/20 0.53
MAPT P10636 2/20 0.53
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
CYP3A4 P08684 1/20 0.53
GAA P10253 1/20 0.53
BLM P54132 1/20 0.53
GFER P55789 1/20 0.53
PMP22 Q01453 1/20 0.53
POLB P06746 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
CA12 O43570 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 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
SCHEMBL22462455 0.80 TMEM97 (0.52) TAAR1ALDH1A1MAPTKDM4EGAA
SCHEMBL4520702 0.79 POLB (0.79) TAAR1PRMT1HSD17B10ALDH1A1MAPT
SCHEMBL1168754 0.79 ALDH1A1 (0.63) TAAR1PRMT1HSD17B10ALDH1A1MAPT
SCHEMBL4601440 0.79 CA1 (0.59) TAAR1PRMT1HSD17B10ALDH1A1MAPT
SCHEMBL1414871 0.79 CA1 (0.67) TAAR1PRMT1HSD17B10ALDH1A1MAPT
SCHEMBL3367299 0.79 PRMT1 (0.54) TAAR1PRMT1HSD17B10ALDH1A1MAPT
SCHEMBL15672851 0.79 MEN1 (0.58) TAAR1PRMT1HSD17B10ALDH1A1MAPT
SCHEMBL11103294 0.79 CA1 (0.66) TAAR1PRMT1HSD17B10ALDH1A1MAPT
SCHEMBL13241445 0.78 CA12 (0.68) ALDH1A1KDM4ELMNACYP3A4POLB
SCHEMBL14719879 0.78 MEN1 (0.77) TAAR1PRMT1HSD17B10ALDH1A1LMNA

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 TAAR1 3645/4885PRMT1 812/4885HSD17B10 1523/4885
US-20200369619-A1 FLUOROSULFONYL-CONTAINING COMPOUND, INTERMEDIATE THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF WEE1, NOTUM, WEE2 TAAR1 4493/4885PRMT1 1265/4885HSD17B10 1964/4885
US-11091442-B2 Fluorosulfonyl-containing compound, intermediate thereof, preparation method therefor and use thereof WEE1, NOTUM, WEE2 TAAR1 4493/4885PRMT1 1265/4885HSD17B10 1964/4885

“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.