Sugi Predict

Sugi Predict / Compounds / SCHEMBL21034361

SCHEMBL21034361

SCHEMBL21034361

C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)F)cc4CC[C@H]3[C@@H]1CCC2=O

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STS P08842 12/20 0.80
▸ CA1 P00915 3/20 0.80
▸ CA2 P00918 3/20 0.80
▸ CA9 Q16790 3/20 0.80
▸ ESR1 P03372 2/20 0.80
▸ ESR2 Q92731 2/20 0.80
▸ KDM4E B2RXH2 2/20 0.80
▸ ABCC4 O15439 1/20 0.80
▸ CYP2C9 P11712 1/20 0.80
▸ ABCC1 P33527 1/20 0.80
▸ SLCO1B1 Q9Y6L6 1/20 0.80
▸ CA4 P22748 1/20 0.80
▸ CA6 P23280 1/20 0.80
▸ LMNA P02545 2/20 0.76
▸ MAPT P10636 2/20 0.76
▸ HSD17B1 P14061 2/20 0.76
▸ RECQL P46063 1/20 0.76
▸ SMN1; SMN2 Q16637 1/20 0.76
▸ CYP3A4 P08684 3/20 0.73
▸ AKR1B10 O60218 1/20 0.67

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
SCHEMBL21067318 0.91 STS (0.84) STSCA1CA2CA9ESR1
SCHEMBL21356579 0.91 STS (0.67) STSCA1CA2CA9ESR1
SCHEMBL17531381 0.90 STS (0.82) STSCA1CA2CA9ESR1
SCHEMBL8034430 0.90 STS (0.82) STSCA1CA2CA9ESR1
SCHEMBL9613396 0.89 STS (0.77) STSCA1CA2CA9ESR1
SCHEMBL3825597 0.89 STS (0.77) STSCA1CA2CA9ESR1
SCHEMBL31321077 0.89 STS (0.77) STSCA1CA2CA9ESR1
SCHEMBL12054334 0.89 STS (0.77) STSCA1CA2CA9ESR1
Estrone Sulfuric Acid SCHEMBL12920398 0.89 STS (1.00) STSCA1CA2CA9ESR1
Emate SCHEMBL10062721 0.89 STS (1.00) STSCA1CA2CA9ESR1

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 STS 78/4885CA1 1052/4885CA2 1479/4885
US-20200369619-A1 FLUOROSULFONYL-CONTAINING COMPOUND, INTERMEDIATE THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF WEE1, NOTUM, WEE2 STS 122/4885CA1 1348/4885CA2 2685/4885
US-11091442-B2 Fluorosulfonyl-containing compound, intermediate thereof, preparation method therefor and use thereof WEE1, NOTUM, WEE2 STS 122/4885CA1 1348/4885CA2 2685/4885

“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.