SCHEMBL3022467

SCHEMBL3022467

CCCCCCCc1cc(=O)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc12

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.69
CA9 Q16790 5/20 0.69
CA1 P00915 3/20 0.69
CA2 P00918 2/20 0.69
KMT2A Q03164 1/20 0.59
PTPN1 P18031 3/20 0.56
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
IL2 P60568 2/20 0.51
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 4/20 0.50
GAA P10253 2/20 0.50
ALDH1A2 O94788 1/20 0.49
ALDH2 P05091 1/20 0.49
ALDH1B1 P30837 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 1/20 0.49
PTPN2 P17706 1/20 0.49
HPGD P15428 2/20 0.48
HSD17B10 Q99714 2/20 0.48

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
SCHEMBL8634263 1.00 CA12 (0.69) CA12CA9CA1CA2KMT2A
SCHEMBL382083 0.84 CA12 (0.74) CA12CA9CA1CA2KMT2A
SCHEMBL6228083 0.84 CA12 (0.74) CA12CA9CA1CA2KMT2A
SCHEMBL3366849 0.82 CA12 (0.71) CA12CA9CA1CA2KMT2A
SCHEMBL3361018 0.82 CA12 (0.70) CA12CA9CA1CA2KMT2A
SCHEMBL1526661 0.82 CA12 (1.00) CA12CA9CA1CA2KMT2A
SCHEMBL755988 0.82 CA12 (1.00) CA12CA9CA1CA2KMT2A
SCHEMBL2319034 0.82 CA12 (1.00) CA12CA9CA1CA2KMT2A
SCHEMBL10048269 0.82 CA12 (1.00) CA12CA9CA1CA2KMT2A
SCHEMBL15745917 0.82 CA12 (1.00) CA12CA9CA1CA2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3284469-B1 COMPOSITIONS AND METHODS FOR DETECTION OF LYSOSOMAL STORAGE DISEASE GENZYME CORP (US) 2020-11-04 EP disclosed
EP-3284469-A2 COMPOSITIONS AND METHODS FOR DETECTION OF LYSOSOMAL STORAGE DISEASE Genzyme Corporation (US) 2018-02-21 EP disclosed
EP-2535050-B1 Compositions and methods for detection of lysosomal storage disease GENZYME CORP (US) 2017-07-05 EP disclosed
EP-2139323-B1 TREATMENT OF GAUCHER DISEASE WITH SPECIFIC PHARMACOLOGICAL CHAPERONES AND MONITORING TREATMENT USING SURROGATE MARKERS AMICUS THERAPEUTICS INC (US) 2013-08-21 EP disclosed
US-8431335-B2 Glucosyl ceramide, sodium taurocholate, and buffer; bioassays GENZYME CORPORATION (US) 2013-04-30 US disclosed
US-8399525-B2 Treatment of gaucher disease with specific pharmacological chaperones and monitoring treatment using surrogate markers AMICUS THERAPEUTICS, INC. (US) 2013-03-19 US disclosed
EP-2535050-A2 Compositions and methods for detection of lysosomal storage disease GENZYME CORPORATION (US) 2012-12-19 EP disclosed
US-20100196279-A1 TREATMENT OF GAUCHER DISEASE WITH SPECIFIC PHARMACOLOGICAL CHAPERONES AND MONITORING TREATMENT USING SURROGATE MARKERS AMICUS THERAPEUTICS, INC. (US) 2010-08-05 US disclosed
EP-2139323-A1 TREATMENT OF GAUCHER DISEASE WITH SPECIFIC PHARMACOLOGICAL CHAPERONES AND MONITORING TREATMENT USING SURROGATE MARKERS Amicus Therapeutics, Inc. (US) 2010-01-06 EP disclosed
EP-2061477-A2 COMPOSITIONS AND METHODS FOR DETECTION OF LYSOSOMAL STORAGE DISEASE Genzyme Corporation (US) 2009-05-27 EP disclosed
WO-2008128106-A1 TREATMENT OF GAUCHER DISEASE WITH SPECIFIC PHARMACOLOGICAL CHAPERONES AND MONITORING TREATMENT USING SURROGATE MARKERS AMICUS THERAPEUTICS, INC. (US) 2008-10-23 WO disclosed
US-20080248512-A1 Methods for detection of lysosomal storage disease GENZYME CORPORATION (US) 2008-10-09 US disclosed
US-20080248513-A1 Methods for detection of lysosomal storage disease GENZYME CORPORATION 2008-10-09 US disclosed
US-20080145836-A1 Compositions and methods for detection of lysosomal storage disease GENZYME CORPORATION (US) 2008-06-19 US disclosed
WO-2008033427-A2 COMPOSITIONS AND METHODS FOR DETECTION OF LYSOSOMAL STORAGE DISEASE GENZYME CORPORATION (US) 2008-03-20 WO 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-20100196279-A1 TREATMENT OF GAUCHER DISEASE WITH SPECIFIC PHARMACOLOGICAL CHAPERONES AND MONITORING TREATMENT USING SURROGATE MARKERS GBA1, GAA, GBA3 CA12 3119/4885CA9 3670/4885CA1 4601/4885

“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.