SCHEMBL5493000

SCHEMBL5493000

NC(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LGALS3 P17931 5/20 0.63
IDUA P35475 1/20 0.47
LGALS1 P09382 2/20 0.45
LGALS9 O00182 1/20 0.45
LGALS8 O00214 1/20 0.45
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA9 Q16790 3/20 0.44
PYGB P11216 7/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL9112754 1.00 LGALS3 (0.63) LGALS3IDUALGALS1LGALS9LGALS8
SCHEMBL5961308 1.00 LGALS3 (0.63) LGALS3IDUALGALS1LGALS9LGALS8
SCHEMBL8329271 1.00 LGALS3 (0.63) LGALS3IDUALGALS1LGALS9LGALS8
SCHEMBL8327423 1.00 LGALS3 (0.63) LGALS3IDUALGALS1LGALS9LGALS8
SCHEMBL1065038 1.00 LGALS3 (0.63) LGALS3IDUALGALS1LGALS9LGALS8
SCHEMBL6281121 1.00 LGALS3 (0.63) LGALS3IDUALGALS1LGALS9LGALS8
SCHEMBL2688569 1.00 LGALS3 (0.63) LGALS3IDUALGALS1LGALS9LGALS8
SCHEMBL2688005 0.98 LGALS3 (0.60) LGALS3IDUALGALS1LGALS9LGALS8
SCHEMBL8331451 0.98 LGALS3 (0.60) LGALS3IDUALGALS1LGALS9LGALS8
SCHEMBL6785168 0.98 LGALS3 (0.60) LGALS3IDUALGALS1LGALS9LGALS8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1246866-A Monocyclic compound with four bifunctional groups and NK-2 antagonistic effect MENARINI RICERCHE SPA (IT) 2000-03-08 CN claimed
CN-117420245-A Detection method of human dry blood spot ceramide and kit for detecting ceramide 南京品生医学检验实验室有限公司 2024-01-19 CN disclosed
US-7312194-B2 Delivery systems ALCHEMIA PTY. LTD. (AU) 2007-12-25 US disclosed
EP-1509254-A1 NEW AGENTS FOR MAGNETIC IMAGING METHOD Bracco Imaging S.p.A. (IT) 2005-03-02 EP disclosed
US-20040176281-A1 Delivery systems ALCHEMIA LIMITED (AU) 2004-09-09 US disclosed
WO-2003103722-A1 NEW AGENTS FOR MAGNETIC IMAGING METHOD BRACCO IMAGING S.P.A. (IT) 2003-12-18 WO disclosed
WO-2002053572-A1 DELIVERY SYSTEMS ALCHEMIA PTY LTD (AU) 2002-07-11 WO disclosed
US-5872111-A TOILET BAR SOAP, FACIAL BODY CLEANSER, SHAMPOO, CONDITIONER, COSMETIC,SHAVING CREAM OR LOTION, SHOWER GEL, FABRIC SOFTENING CONDITIONER, AND UNDERARM DEODORANT/ANTI-PERSPIRANT LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1999-02-16 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-20040176281-A1 Delivery systems MTX2, SGMS2, SGMS1 LGALS3 965/4885IDUA 358/4885LGALS1 814/4885

“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.