SCHEMBL19203101

SCHEMBL19203101

O=S(=O)(O)c1cc2c(O)c(c1)Cc1cc(S(=O)(=O)O)cc(c1O)Cc1cc(S(=O)(=O)O)cc(c1O)Cc1cc(S(=O)(=O)O)cc(c1O)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ING2 Q9H160 3/20 1.00
DUSP5 Q16690 1/20 0.63
DUSP6 Q16828 1/20 0.63
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA14 Q9ULX7 2/20 0.41
LMNA P02545 1/20 0.41
PTPRB P23467 1/20 0.41
CASP6 P55212 3/20 0.40
NSD2 O96028 2/20 0.40
GAA P10253 1/20 0.40
PLCG1 P19174 1/20 0.40
DNMT1 P26358 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NT5E P21589 3/20 0.38
ALDH1A1 P00352 4/20 0.38

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
SCHEMBL29776588 1.00 ING2 (1.00) ING2DUSP5DUSP6LCKFYN
SCHEMBL29664959 1.00 ING2 (1.00) ING2DUSP5DUSP6LCKFYN
SCHEMBL15397119 1.00 ING2 (1.00) ING2DUSP5DUSP6LCKFYN
SCHEMBL15397115 1.00 ING2 (1.00) ING2DUSP5DUSP6LCKFYN
SCHEMBL29486957 1.00 ING2 (1.00) ING2DUSP5DUSP6LCKFYN
SCHEMBL29486958 1.00 ING2 (1.00) ING2DUSP5DUSP6LCKFYN
Water SCHEMBL31084794 0.98 ING2 (0.95) ING2DUSP5DUSP6LCKFYN
Water SCHEMBL30366794 0.98 ING2 (0.95) ING2DUSP5DUSP6LCKFYN
SCHEMBL19196167 0.90 ING2 (0.81) ING2DUSP5DUSP6LCKFYN
SCHEMBL22828087 0.90 ING2 (0.81) ING2DUSP5DUSP6LCKFYN

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
US-20230225988-A1 ANTIVIRAL USE OF CALIXARENES CEBINA GmbH (AT) 2023-07-20 US disclosed
US-20230225988-A1 ANTIVIRAL USE OF CALIXARENES CEBINA GmbH (AT) 2023-07-20 US disclosed
US-11179358-B2 Compound for use in the prevention and treatment of neurodegenerative diseases Universität Wien (AT) 2021-11-23 US disclosed
EP-3863613-A1 MACROCYCLIC COMPOUNDS AND USES THEREOF Aalto University Foundation (FI) 2021-08-18 EP disclosed
US-20200360315-A1 COMPOUND FOR USE IN THE PREVENTION AND TREATMENT OF NEURODEGENERATIVE DISEASES Universität Wien (AT) 2020-11-19 US disclosed
US-10246573-B2 Anti-static compositions HONEYWELL INTERNATIONAL INC. (US) 2019-04-02 US disclosed
US-20170218179-A1 ANTI-STATIC COMPOSITIONS HONEYWELL SAFETY PRODUCTS USA, INC. 2017-08-03 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 (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-20200360315-A1 COMPOUND FOR USE IN THE PREVENTION AND TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, PARK7, HTT ING2 2759/4885DUSP5 2626/4885DUSP6 2762/4885
US-11179358-B2 Compound for use in the prevention and treatment of neurodegenerative diseases SNCA, PARK7, HTT ING2 2759/4885DUSP5 2626/4885DUSP6 2762/4885
US-20230225988-A1 ANTIVIRAL USE OF CALIXARENES CALU, CANX, CTSA ING2 4014/4885DUSP5 1815/4885DUSP6 1390/4885

“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.