SCHEMBL18026348

SCHEMBL18026348

CC(C)(C)NC(=O)CC(=O)NC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
POLB P06746 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
GAA P10253 1/20 0.42
EPHX1 P07099 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 2/20 0.39
TSHR P16473 1/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 2/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
HDAC2 Q92769 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 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
SCHEMBL13618809 0.85 MAPT (0.44) ALDH1A1POLBSMN1; SMN2NPC1GAA
SCHEMBL922696 0.85 ALDH1A1 (0.47) ALDH1A1POLBSMN1; SMN2NPC1GAA
SCHEMBL19171550 0.84 SMN1; SMN2 (0.50) ALDH1A1POLBSMN1; SMN2NPC1GAA
SCHEMBL5505398 0.83 ALDH1A1 (0.50) ALDH1A1POLBSMN1; SMN2NPC1GAA
SCHEMBL12747921 0.83 ALDH1A1 (0.41) ALDH1A1POLBSMN1; SMN2NPC1GAA
SCHEMBL14094895 0.83 ALDH1A1 (0.42) ALDH1A1POLBSMN1; SMN2NPC1GAA
SCHEMBL1121578 0.81
SCHEMBL155565 0.81
SCHEMBL6356662 0.81
SCHEMBL1121579 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873310-B2 Compounds useful in HIV therapy GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-01-16 US disclosed
US-20230365609-A1 HIGHLY POTENT MULTIMERIC E-SELECTIN ANTAGONISTS GLYCOMIMETICS, INC. (US) 2023-11-16 US disclosed
US-11780873-B2 Highly potent multimeric e-selectin antagonists GLYCOMIMETICS, INC. (US) 2023-10-10 US disclosed
US-11712446-B2 Methods of mobilizing marrow infiltrating lymphocytes and uses thereof GLYCOMIMETICS, INC. (US) 2023-08-01 US disclosed
US-20230218649-A1 COMPOSITIONS AND METHODS FOR OVERCOMING MICROENVIRONMENT-MEDIATED RESISTANCE VIA E-SELECTIN TARGETING GLYCOMIMETICS, INC. (US) 2023-07-13 US disclosed
US-20230165882-A1 COMPOUNDS AND METHODS FOR REDUCTION OF CANCER CELL BURDEN AND PROTECTION OF NORMAL HEMATOPOIESIS GLYCOMIMETICS, INC. (US) 2023-06-01 US disclosed
US-20230147312-A1 TREATMENT OF ACUTE RESPIRATORY DISTRESS SYNDROME AND RELATED CONDITIONS WITH ANTAGONISTS OF E-SELECTIN GLYCOMIMETICS, INC. (US) 2023-05-11 US disclosed
US-20230127765-A1 COMBINATION OF T-CELL CHECKPOINT INHIBITORS WITH INHIBITORS OF E-SELECTIN OR CXCR4, OR WITH HETEROBIFUNCTIONAL INHIBITORS OF BOTH E-SELECTIN AND CXCR4 GLYCOMIMETICS, INC. (US) 2023-04-27 US disclosed
US-20180155332-A1 SMALL MOLECULE BASED ANTIBODY-RECRUITING COMPOUNDS FOR CANCER TREATMENT YALE UNIVERSITY 2018-06-07 US disclosed
US-20170305951-A1 HETEROBIFUNCTIONAL INHIBITORS OF E-SELECTINS AND CXCR4 CHEMOKINE RECEPTORS GLYCOMIMETICS, INC. (US) 2017-10-26 US disclosed
US-20170296566-A9 METHODS AND COMPOSITIONS FOR TREATING AND/OR PREVENTING MUCOSITIS GLYCOMIMETICS, INC. (US) 2017-10-19 US disclosed
US-20160333043-A1 E-Selectin Antagonists Modified By Macrocycle Formation to the Galactose GLYCOMIMETICS, INC. (US) 2016-11-17 US disclosed
US-20160243145-A1 METHODS AND COMPOSITIONS FOR TREATING AND/OR PREVENTING MUCOSITIS GLYCOMIMETICS, INC. (US) 2016-08-25 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 (13 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-20180155332-A1 SMALL MOLECULE BASED ANTIBODY-RECRUITING COMPOUNDS FOR CANCER TREATMENT PLAUR, C5AR1, C3AR1 ALDH1A1 3982/4885POLB 3750/4885SMN1; SMN2 2701/4885
US-11873310-B2 Compounds useful in HIV therapy CD4, CCR5, ABCB1 ALDH1A1 424/4885POLB 273/4885SMN1; SMN2 2746/4885
US-20160333043-A1 E-Selectin Antagonists Modified By Macrocycle Formation to the Galactose SELE, SELPLG, SELL ALDH1A1 655/4885POLB 4707/4885SMN1; SMN2 3759/4885
US-20230218649-A1 COMPOSITIONS AND METHODS FOR OVERCOMING MICROENVIRONMENT-MEDIATED RESISTANCE VIA E-SELECTIN TARGETING SELE, SELPLG, MCL1 ALDH1A1 1037/4885POLB 2970/4885SMN1; SMN2 3305/4885
US-20170296566-A9 METHODS AND COMPOSITIONS FOR TREATING AND/OR PREVENTING MUCOSITIS SELE, SELP, SELPLG ALDH1A1 636/4885POLB 2286/4885SMN1; SMN2 3010/4885
US-11712446-B2 Methods of mobilizing marrow infiltrating lymphocytes and uses thereof SELE, SELL, SELP ALDH1A1 750/4885POLB 769/4885SMN1; SMN2 1733/4885
US-20230165882-A1 COMPOUNDS AND METHODS FOR REDUCTION OF CANCER CELL BURDEN AND PROTECTION OF NORMAL HEMATOPOIESIS FLT3, SELE, SELL ALDH1A1 1066/4885POLB 2661/4885SMN1; SMN2 3878/4885
US-20230127765-A1 COMBINATION OF T-CELL CHECKPOINT INHIBITORS WITH INHIBITORS OF E-SELECTIN OR CXCR4, OR WITH HETEROBIFUNCTIONAL INHIBITORS OF BOTH E-SELECTIN AND CXCR4 SELE, CD274, CXCR3 ALDH1A1 2125/4885POLB 3467/4885SMN1; SMN2 2989/4885
US-11780873-B2 Highly potent multimeric e-selectin antagonists SELE, SELP, SELPLG ALDH1A1 773/4885POLB 4162/4885SMN1; SMN2 2259/4885
US-20230147312-A1 TREATMENT OF ACUTE RESPIRATORY DISTRESS SYNDROME AND RELATED CONDITIONS WITH ANTAGONISTS OF E-SELECTIN SELP, SELE, SELPLG ALDH1A1 1201/4885POLB 3151/4885SMN1; SMN2 2397/4885
US-20160243145-A1 METHODS AND COMPOSITIONS FOR TREATING AND/OR PREVENTING MUCOSITIS SELE, SELP, SELPLG ALDH1A1 636/4885POLB 2286/4885SMN1; SMN2 3010/4885
US-20170305951-A1 HETEROBIFUNCTIONAL INHIBITORS OF E-SELECTINS AND CXCR4 CHEMOKINE RECEPTORS CXCL12, CXCR4, SELE ALDH1A1 502/4885POLB 3432/4885SMN1; SMN2 3650/4885
US-20230365609-A1 HIGHLY POTENT MULTIMERIC E-SELECTIN ANTAGONISTS SELE, SELP, SELPLG ALDH1A1 759/4885POLB 3988/4885SMN1; SMN2 2462/4885

“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.