SCHEMBL8153373

SCHEMBL8153373

CC1=Cc2ccc(Br)cc2S1(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.36
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
CA1 P00915 2/20 0.35
CA4 P22748 1/20 0.35
CA7 P43166 1/20 0.35
RIPK2 O43353 2/20 0.33
ALOX5 P09917 1/20 0.30
ALDH1A1 P00352 2/20 0.30
MAPK1 P28482 1/20 0.30
AHR P35869 1/20 0.30

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
SCHEMBL1747641 0.85 CA2 (0.36) CA2CA12CA9CA1CA4
SCHEMBL23030081 0.80 CA1 (0.37) CA2CA12CA9CA1CA4
SCHEMBL24857595 0.74 TSHR (0.34) CA2CA12CA9CA1RIPK2
SCHEMBL24857596 0.74 LMNA (0.37) CA2CA9CA1RIPK2ALOX5
SCHEMBL308829 0.71 GPR3 (0.41) CA2CA12CA9CA1
SCHEMBL30430615 0.71 GPR3 (0.41) CA2CA12CA9CA1
SCHEMBL18805435 0.69 CYP2A6 (0.35) RIPK2ALDH1A1
SCHEMBL23030082 0.68 CA1 (0.35) CA2CA12CA9CA1CA4
SCHEMBL1326395 0.66 S100A4 (0.46) CA2CA12CA9CA1CA4
SCHEMBL29726026 0.66 S100A4 (0.46) CA2CA12CA9CA1CA4

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-112409385-B Azaaryl compounds and uses thereof 上海青煜医药科技有限公司 2024-08-13 CN disclosed
US-20230002414-A1 AZAHETEROARYL COMPOUND AND APPLICATION THEREOF SHANGHAI BLUERAY BIOPHARMA CO., LTD. (CN) 2023-01-05 US disclosed
EP-4019521-A1 AZAHETEROARYL COMPOUND AND APPLICATION THEREOF Blueray Therapeutics (Shanghai) Co., Ltd (CN) 2022-06-29 EP disclosed
WO-2021032004-A9 AZAHETEROARYL COMPOUND AND APPLICATION THEREOF 上海青煜医药科技有限公司 2021-03-25 WO disclosed
WO-2021032004-A1 AZAHETEROARYL COMPOUND AND APPLICATION THEREOF 上海青煜医药科技有限公司 2021-02-25 WO disclosed
US-20040116399-A1 Inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2004-06-17 US 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-20230002414-A1 AZAHETEROARYL COMPOUND AND APPLICATION THEREOF EZH2, EED, SUZ12 CA2 3791/4885CA12 3102/4885CA9 3487/4885

“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.