SCHEMBL1389341

SCHEMBL1389341

Nc1cc(OS(=O)(=O)O)cc2cc(OS(=O)(=O)O)cc(OS(=O)(=O)O)c12

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
F10 P00742 5/20 0.39
CISD1 Q9NZ45 1/20 0.38
NT5E P21589 1/20 0.38
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
FABP1 P07148 1/20 0.31
TYR P14679 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
SCHEMBL7625960 0.83 NT5E (0.53) CYP1A2CISD1NT5EGLAGAA
SCHEMBL8020759 0.80 CISD1 (0.41) CYP1A2F10CISD1NT5EGLA
SCHEMBL10606946 0.77 CISD1 (0.36) CYP1A2F10CISD1GLAGAA
SCHEMBL11436483 0.76 NT5E (0.40) CYP1A2F10CISD1NT5ETYR
SCHEMBL11124965 0.76 F10 (0.41) CYP1A2F10CISD1GLAGAA
SCHEMBL11028747 0.73 GAA (0.47) CYP1A2F10CISD1GLAGAA
SCHEMBL7755552 0.73 GLA (0.44) CYP1A2F10CISD1GLAGAA
SCHEMBL6575801 0.72 GAA (0.44) CYP1A2F10CISD1GLAGAA
SCHEMBL10787453 0.72 NSD2 (0.45) F10CISD1NT5EGLAGAA
SCHEMBL10783995 0.72 NT5E (0.45) F10CISD1NT5EGLAGAA

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3232193-B1 DIAGNOSIS OF MPS I DISORDERS BY MEASURING NON-REDUCING ENDS OF GAGS AFTER ENZYMATIC DIGEST BIOMARIN PHARM INC (US) 2023-03-01 EP disclosed
US-20210025874-A1 METHODS OF DIAGNOSING A DISEASE AND METHODS OF MONITORING TREATMENT OF A DISEASE BY QUANTIFYING A NON-REDUCING END GLYCAN RESIDUAL COMPOUND AND COMPARING TO A SECOND BIOMARKER BIOMARIN PHARMACEUTICAL INC. (US) 2021-01-28 US disclosed
US-20210017570-A1 DETECTION OF OLIGOSACCHARIDES BIOMARIN PHARMACEUTICAL INC. (US) 2021-01-21 US disclosed
US-10793894-B2 Quantification of non-reducing end glycan residual compounds for determining the presence, identity, or severity of a disease or condition BIOMARIN PHARMACEUTICAL INC. (US) 2020-10-06 US disclosed
US-10683530-B2 Detection of oligosaccharides BIOMARIN PHARMACEUTICAL INC. (US) 2020-06-16 US disclosed
US-10677786-B2 Methods of diagnosing mucopolysaccharidosis (MPS) I and methods of monitoring treatment of MPS by quantifying a non-reducing end glycan residual compound and comparing to a second biomarker BIOMARIN PHARMACEUTICAL INC. (US) 2020-06-09 US disclosed
US-20190249224-A1 QUANTIFICATION OF NON-REDUCING END GLYCAN RESIDUAL COMPOUNDS FOR DETERMINING THE PRESENCE, IDENTITY, OR SEVERITY OF A DISEASE OR CONDITION BIOMARIN PHARMACEUTICAL INC. (US) 2019-08-15 US disclosed
US-10260084-B2 Quantification of non-reducing end glycan residual compounds for determining the presence, identity, or severity of a disease or condition BIOMARIN PHARMACEUTICAL INC. (US) 2019-04-16 US disclosed
EP-2900831-B1 QUANTIFICATION OF NON-REDUCING END GLYCAN RESIDUAL COMPOUNDS BIOMARIN PHARM INC (US) 2018-11-21 EP disclosed
EP-2376916-B1 QUANTIFICATION OF NON-REDUCING END GLYCAN RESIDUAL COMPOUNDS BIOMARIN PHARM INC (US) 2018-10-03 EP disclosed
WO-2010078514-A2 QUANTIFICATION OF NON-REDUCING END GLYCAN RESIDUAL COMPOUNDS ZACHARON PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed
EP-2190983-A1 MODIFIED XYLAN PRODUCTION Cambridge Enterprise Limited (GB) 2010-06-02 EP disclosed
WO-2009037502-A1 MODIFIED XYLAN PRODUCTION CAMBRIDGE ENTERPRISE LIMITED (GB) 2009-03-26 WO disclosed
US-20070167608-A1 Sugar chain structure profiling techniques NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2007-07-19 US disclosed
US-6086640-A DYEING CELLULOSE WITH FIBER REACTIVE BLUE DYE NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2000-07-11 US disclosed
EP-0964033-A1 FORMAZAN COMPOUNDS AND METHOD OF DYEING THEREWITH NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1999-12-15 EP disclosed
US-5403922-A Surfactants, vesicular agents STEPAN EUROPE (FR) 1995-04-04 US disclosed
EP-0031099-B1 COMPOUNDS WITH REACTIVE RESTS AND THEIR USE IN DYEING FIBRES BASF Aktiengesellschaft (DE) 1984-07-18 EP disclosed
EP-0066714-A2 Reactive dyestuffs BASF Aktiengesellschaft (DE) 1982-12-15 EP disclosed
EP-0031099-A2 Compounds with reactive rests and their use in dyeing fibres BASF Aktiengesellschaft (DE) 1981-07-01 EP 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-20210017570-A1 DETECTION OF OLIGOSACCHARIDES MAN2B1, MAN1B1, MAN2B2 CYP1A2 4537/4885F10 2288/4885CISD1 2245/4885
US-10683530-B2 Detection of oligosaccharides MAN2B1, MAN1B1, MAN2B2 CYP1A2 4537/4885F10 2288/4885CISD1 2245/4885

“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.