Sugi Predict

Sugi Predict / Compounds / SCHEMBL21609443

SCHEMBL21609443

SCHEMBL21609443

[2H]C([2H])(F)C([2H])([2H])C([2H])([2H])OS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 2/20 0.40
▸ GAA P10253 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ VDR P11473 1/20 0.37
▸ CA1 P00915 3/20 0.37
▸ CA9 Q16790 3/20 0.37
▸ CA12 O43570 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CA3 P07451 1/20 0.37
▸ CA6 P23280 1/20 0.37
▸ CA5A P35218 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ CA5B Q9Y2D0 1/20 0.37
▸ CYP2D6 P10635 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36

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
SCHEMBL31742337 0.90 GAA (0.42) STAT3GAAALDH1A1CYP3A4CYP2C9
SCHEMBL21609433 0.90 GAA (0.45) STAT3GAAALDH1A1CYP3A4CYP2C9
SCHEMBL23244200 0.83 STAT3 (0.43) STAT3GAAALDH1A1CYP3A4CYP2C9
SCHEMBL30091418 0.83 STAT3 (0.37) STAT3GAAALDH1A1CYP3A4CYP2C9
SCHEMBL20486 0.82 GAA (0.45) STAT3GAAALDH1A1CYP3A4CYP2C9
SCHEMBL22209113 0.82 GAA (0.45) STAT3GAAALDH1A1CYP3A4CYP2C9
SCHEMBL12570393 0.81 GAA (0.43) STAT3GAAALDH1A1CYP3A4CYP2C9
SCHEMBL12396684 0.79 ALDH1A1 (0.49) STAT3GAAALDH1A1CYP3A4CYP2C9
SCHEMBL30644080 0.79 GAA (0.45) STAT3GAAALDH1A1CYP3A4CYP2C9
SCHEMBL29927 0.78 ALDH1A1 (0.50) STAT3GAAALDH1A1CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024198262-A1 [18F] DEUTERATED FLUOROPROPYL TROPANE DERIVATIVE AND USE THEREOF 江苏省原子医学研究所 2024-10-03 — — WO claimed
EP-3814337-B1 PYRIDINE AND PYRAZINE DERIVATIVES AS PREFERENTIAL CANNABINOID 2 AGONISTS HOFFMANN LA ROCHE (CH) 2025-05-14 — — EP disclosed
WO-2024198262-A1 [18F] DEUTERATED FLUOROPROPYL TROPANE DERIVATIVE AND USE THEREOF 江苏省原子医学研究所 2024-10-03 — — WO disclosed
US-11655243-B2 Pyridine and pyrazine derivatives as preferential cannabinoid 2 agonists HOFFMANN-LA ROCHE INC. (US) 2023-05-23 — — US disclosed
EP-3814337-A1 PYRIDINE AND PYRAZINE DERIVATIVES AS PREFERENTIAL CANNABINOID 2 AGONISTS F. Hoffmann-La Roche AG (CH) 2021-05-05 — — EP disclosed
US-20210115027-A1 PYRIDINE AND PYRAZINE DERIVATIVES AS PREFERENTIAL CANNABINOID 2 AGONISTS HOFFMANN-LA ROCHE INC. (US) 2021-04-22 — — US disclosed
WO-2020002270-A1 PYRIDINE AND PYRAZINE DERIVATIVES AS PREFERENTIAL CANNABINOID 2 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2020-01-02 — — 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 (2 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-20210115027-A1 PYRIDINE AND PYRAZINE DERIVATIVES AS PREFERENTIAL CANNABINOID 2 AGONISTS CNR2, CNR1, TBXA2R STAT3 2812/4885GAA 4745/4885ALDH1A1 1342/4885
US-11655243-B2 Pyridine and pyrazine derivatives as preferential cannabinoid 2 agonists CNR2, CNR1, TBXA2R STAT3 2812/4885GAA 4745/4885ALDH1A1 1342/4885

“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.