SCHEMBL18280205

SCHEMBL18280205

[O]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA9 Q16790 2/20 0.43
TSHR P16473 4/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP3A4 P08684 1/20 0.39
RECQL P46063 1/20 0.39
CNR1 P21554 1/20 0.37
CES1 P23141 2/20 0.37
DNMT1 P26358 1/20 0.35
AHR P35869 1/20 0.35
HPGD P15428 1/20 0.35
F2 P00734 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
ACLY P53396 1/20 0.34
SLC40A1 Q9NP59 1/20 0.34
AKR1C4 P17516 1/20 0.33

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
SCHEMBL14431517 0.80 ALDH1A1 (0.45) ALDH1A1CA1CA2CA9TSHR
SCHEMBL181647 0.78 ALDH1A1 (0.43) ALDH1A1CA1CA2CA9TSHR
SCHEMBL14532531 0.76 CA1 (0.46) ALDH1A1CA1CA2CA9TSHR
SCHEMBL3132764 0.76 ALDH1A1 (0.43) ALDH1A1CA1CA2CA9TSHR
SCHEMBL6038587 0.76 CA1 (0.41) ALDH1A1CA1CA2CA9TSHR
SCHEMBL1645227 0.76 CA1 (0.54) ALDH1A1CA1CA2CA9TSHR
SCHEMBL11155608 0.76 CA1 (0.41) ALDH1A1CA1CA2CA9TSHR
SCHEMBL13271939 0.76 CA1 (0.41) ALDH1A1CA1CA2CA9TSHR
Hydrochloric Acid SCHEMBL645734 0.74 CYP2C9 (0.42) ALDH1A1CA1CA2CA9TSHR
SCHEMBL29209864 0.72 ALDH1A1 (0.46) ALDH1A1TSHRCNR1CES1SLC40A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114605310-B Synthesis method of aza five-membered ring and three-membered ring carboxylic ester derivative and salt thereof 都创(上海)医药科技股份有限公司 2024-05-07 CN claimed
EP-3109246-B1 THIOPYRANOSE COMPOUND AND METHOD FOR PRODUCING SAME FUJIFILM CORP (JP) 2021-11-03 EP disclosed
US-9815812-B2 Thiopyranose compound and method for producing same FUJIFILM CORPORATION (JP) 2017-11-14 US disclosed
EP-3109246-A1 THIOPYRANOSE COMPOUND AND METHOD FOR PRODUCING SAME Fujifilm Corporation (JP) 2016-12-28 EP disclosed
US-20160355497-A1 THIOPYRANOSE COMPOUND AND METHOD FOR PRODUCING SAME FUJIFILM CORPORATION (JP) 2016-12-08 US disclosed
CN-106029644-A Thiopyranose compound and method for producing same 富士胶片株式会社 2016-10-12 CN 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 (1 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-20160355497-A1 THIOPYRANOSE COMPOUND AND METHOD FOR PRODUCING SAME TST, TPMT, CTPS1 ALDH1A1 541/4885CA1 1739/4885CA2 1795/4885

“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.