SCHEMBL2963801

SCHEMBL2963801

CC(CCO)(NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 1/20 0.46
LMNA P02545 2/20 0.46
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
TACR1 P25103 1/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
SYK P43405 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
SCHEMBL3584842 1.00 CTSS (0.52) CTSSMEN1KMT2AITGB3ITGA2B
SCHEMBL11536327 0.88 CTSS (0.54) CTSSMEN1KMT2AITGB3ITGA2B
SCHEMBL4710059 0.88 CTSS (0.54) CTSSMEN1KMT2AITGB3ITGA2B
SCHEMBL2777679 0.87 HTT (0.52) CTSSMEN1KMT2AITGB3ITGA2B
SCHEMBL1398932 0.87 HTT (0.52) CTSSMEN1KMT2AITGB3ITGA2B
SCHEMBL1398933 0.87 HTT (0.52) CTSSMEN1KMT2AITGB3ITGA2B
SCHEMBL28086104 0.86 ITGB3 (0.51) CTSSMEN1KMT2AITGB3ITGA2B
SCHEMBL1150931 0.85 CTSS (0.57) CTSSMEN1KMT2AITGB3ITGA2B
SCHEMBL10654800 0.85 ITGB3 (0.60) CTSSMEN1KMT2AITGB3ITGA2B
SCHEMBL5970504 0.85 CTSS (0.57) CTSSMEN1KMT2AITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1551228-B1 SYNTHETIC C-GLYCOLIPID AND ITS USE FOR TREATING CANCER INFECTIOUS DISEASES AND AUTOIMMUNE DISEASES UNIV NEW YORK (US) 2012-10-03 EP disclosed
US-8252909-B2 Synthetic C-glycolipid and its use for treating cancer, infectious diseases, and autoimmune diseases NEW YORK UNIVERSITY (US) 2012-08-28 US disclosed
US-7771726-B2 Use of synthetic glycolipids as universal adjuvants for vaccines against cancer and infectious diseases NEW YORK UNIVERSITY (US) 2010-08-10 US disclosed
US-7273852-B2 Synthetic C-glycolipid and its use for treating cancer, infectious diseases and autoimmune diseases THE RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2007-09-25 US disclosed
US-20060019246-A1 Synthetic C-glycolipid and its use for treating cancer, infectious diseases, and autoimmune diseases NEW YORK UNIVERSITY (US) 2006-01-26 US disclosed
US-20050192248-A1 Use of synthetic glycolipids as universal adjuvants for vaccines against cancer and infectious diseases NYU MEDICAL CENTER (US) 2005-09-01 US disclosed
EP-1551228-A2 SYNTHETIC C-GLYCOLIPID AND ITS USE FOR TREATING CANCER INFECTIOUS DISEASES AND AUTOIMMUNE DISEASES New York University (US) 2005-07-13 EP disclosed
US-20040127429-A1 Synthetic C-glycolipid and its use for treating cancer, infectious diseases and autoimmune diseases RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK, THE 2004-07-01 US disclosed
WO-2003105769-A2 SYNTHETIC C-GLYCOLIPID AND ITS USE FOR TREATING CANCER INFECTIOUS DISEASES AND AUTOIMMUNE DISEASES NEW YORK UNIVERSITY (US) 2003-12-24 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 (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-20050192248-A1 Use of synthetic glycolipids as universal adjuvants for vaccines against cancer and infectious diseases CD4, CD81, CD69 CTSS 3278/4885MEN1 2007/4885KMT2A 2928/4885
US-20040127429-A1 Synthetic C-glycolipid and its use for treating cancer, infectious diseases and autoimmune diseases UGT8, UGCG, SGMS1 CTSS 2264/4885MEN1 686/4885KMT2A 2403/4885
US-20060019246-A1 Synthetic C-glycolipid and its use for treating cancer, infectious diseases, and autoimmune diseases CCR8, UGT8, H1-10 CTSS 2409/4885MEN1 560/4885KMT2A 2345/4885

“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.