SCHEMBL5439062

SCHEMBL5439062

O=S(=O)(O)c1cc2ccccc2nc1S(=O)(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.46
▸ KDM4E B2RXH2 6/20 0.46
▸ HPGD P15428 2/20 0.45
▸ GLA P06280 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ ACHE P22303 1/20 0.45
▸ GAA P10253 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ STAT3 P40763 1/20 0.39
▸ IKBKB O14920 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ MGAM O43451 2/20 0.36
▸ PDE2A O00408 2/20 0.36
▸ PDE3B Q13370 2/20 0.36
▸ PDE3A Q14432 2/20 0.36
▸ MEN1 O00255 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
SCHEMBL366220 0.81 KDM4E (0.52) ALDH1A1KDM4EHPGDGLAMAPT
SCHEMBL29424116 0.81 KDM4E (0.52) ALDH1A1KDM4EHPGDGLAMAPT
SCHEMBL6734016 0.80 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDGLAMAPT
SCHEMBL3694892 0.80 KMT2A (0.47) ALDH1A1KDM4EHPGDGLAMAPT
SCHEMBL29456740 0.80 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDGLAMAPT
SCHEMBL3694868 0.79 KMT2A (0.46) ALDH1A1KDM4EHPGDGLAMAPT
SCHEMBL3709925 0.79 KMT2A (0.46) ALDH1A1KDM4EHPGDGLAMAPT
SCHEMBL3702685 0.79 KMT2A (0.46) ALDH1A1KDM4EHPGDGLAMAPT
SCHEMBL27825821 0.78 L3MBTL1 (0.48) ALDH1A1KDM4EHPGDMAPTGAA
SCHEMBL4457662 0.77 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDGLAMAPT

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
CN-108712903-A Fluoroalkyl, fluoroalkoxy, phenoxy, heteroaryloxy, alkoxy and amine 1, 4-benzoquinone derivatives for the treatment of oxidative stress disorders 生物电子技术有限公司 2018-10-26 — — CN disclosed
CN-103502218-B Compounds and methods for for conjugating biomolecules 生命科技公司 2016-08-17 — — CN disclosed
US-20070197648-A1 Pharmaceutical product containing tranilast ROHTO PHARMACEUTICAL CO., LTD. (JP) 2007-08-23 — — US disclosed
CN-1316977-C Stable brivudine topical formulations MENARINI RICERCHE SPA (IT) 2007-05-23 — — CN disclosed
CN-1604782-A Stabilized brivudine topical formulations MENARINI RICERCHE SPA (IT) 2005-04-06 — — 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-20070197648-A1 Pharmaceutical product containing tranilast PTGIS, TPMT, QDPR ALDH1A1 141/4885KDM4E 1595/4885HPGD 149/4885

“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.

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