SCHEMBL3960043

SCHEMBL3960043

CC(C)(N)CCC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.37
STING1 Q86WV6 1/20 0.36
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
EPHX2 P34913 1/20 0.33
CYP2D6 P10635 1/20 0.33
DGAT1 O75907 1/20 0.32
GAA P10253 1/20 0.32
MLYCD O95822 1/20 0.32
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA14 Q9ULX7 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 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
Hydrochloric Acid SCHEMBL31301903 0.98 STING1 (0.36) GRM4STING1HDAC1HDAC2HDAC6
SCHEMBL23223933 0.87 EPHX2 (0.37) GRM4STING1HDAC1HDAC2HDAC6
SCHEMBL328633 0.86 STING1 (0.36) STING1HDAC1HDAC2HDAC6HDAC3
SCHEMBL16334546 0.86 STING1 (0.36) STING1HDAC1HDAC2HDAC6HDAC3
SCHEMBL23223961 0.85 EPHX2 (0.39) GRM4STING1HDAC1HDAC2HDAC6
SCHEMBL28026420 0.84 STING1 (0.36) STING1HDAC1HDAC2HDAC6HDAC3
SCHEMBL19001556 0.83 STING1 (0.31) STING1
SCHEMBL1263504 0.82 HDAC1 (0.34) STING1HDAC1HDAC2HDAC6HDAC3
SCHEMBL16327485 0.81 HDAC6 (0.37) STING1HDAC1HDAC2HDAC6HDAC3
SCHEMBL10014001 0.81 HDAC6 (0.37) STING1HDAC1HDAC2HDAC6HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4230264-B1 PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DESEASES ALKERMES PHARMA IRELAND LTD (IE) 2026-01-28 EP disclosed
EP-4217356-B1 CYCLIN-DEPENDENT KINASE 7 (CDK7) NON-COVALENT INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2025-05-14 EP disclosed
US-20250127747-A1 Prodrugs of Fumarates and Their Use in Treating Various Diseases JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2025-04-24 US disclosed
US-20250057770-A1 Monomethylfumarate Prodrug Compositions JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2025-02-20 US disclosed
US-12076306-B2 Prodrugs of fumarates and their use in treating various diseases ALKERMES PHARMA IRELAND LIMITED (IE) 2024-09-03 US disclosed
US-20240101554-A1 CYCLIN-DEPENDENT KINASE 7 (CDK7) NON-COVALENT INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2024-03-28 US disclosed
US-20240024275-A1 Prodrugs of Fumarates and Their Use in Treating Various Diseases JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2024-01-25 US disclosed
US-20240024275-A1 Prodrugs of Fumarates and Their Use in Treating Various Diseases JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2024-01-25 US disclosed
US-20240024275-A1 Prodrugs of Fumarates and Their Use in Treating Various Diseases JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2024-01-25 US disclosed
EP-4230264-A2 PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DESEASES Alkermes Pharma Ireland Limited (IE) 2023-08-23 EP disclosed
US-20140275048-A1 PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DISEASES ALKERMES PHARMA IRELAND LIMITED (IE) 2014-09-18 US disclosed
US-20140275048-A1 PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DISEASES ALKERMES PHARMA IRELAND LIMITED (IE) 2014-09-18 US disclosed
US-20140275048-A1 PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DISEASES ALKERMES PHARMA IRELAND LIMITED (IE) 2014-09-18 US disclosed
US-20120220603-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF PAIN AND EPILEPSY ZALICUS PHARMACEUTICALS LTD. (CA) 2012-08-30 US disclosed
EP-1401808-B1 GPE ANALOGS AND PEPTIDOMIMETICS NEUREN PHARMACEUTICALS LTD (NZ) 2009-07-08 EP disclosed
US-7041314-B2 GPE analogs and peptidominetics NEUREN PHARMACEUTICALS LTD. (NZ) 2006-05-09 US disclosed
EP-1401808-A4 GPE ANALOGS AND PEPTIDOMIMETICS NEURONZ LTD (NZ) 2004-08-25 EP disclosed
EP-1401808-A2 GPE ANALOGS AND PEPTIDOMIMETICS Neuronz Limited (NZ) 2004-03-31 EP disclosed
US-20030055004-A1 GPE analogs and peptidominetics NEUREN PHARMACEUTICALS LIMITED (AU) 2003-03-20 US disclosed
WO-2002094856-A2 GPE ANALOGS AND PEPTIDOMIMETICS NEURONZ LIMITED (NZ) 2002-11-28 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 (8 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-20140275048-A1 PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DISEASES FH, FAH, GLS2 GRM4 3044/4885STING1 4636/4885HDAC1 189/4885
US-20240024275-A1 Prodrugs of Fumarates and Their Use in Treating Various Diseases FH, FAH, GLS2 GRM4 3044/4885STING1 4636/4885HDAC1 189/4885
US-20030055004-A1 GPE analogs and peptidominetics GLUL, GCG, BAD GRM4 43/4885STING1 1625/4885HDAC1 4540/4885
US-20250057770-A1 Monomethylfumarate Prodrug Compositions DHFR, FPGS, G6PD GRM4 316/4885STING1 4181/4885HDAC1 685/4885
US-12076306-B2 Prodrugs of fumarates and their use in treating various diseases FH, FAH, GLS2 GRM4 3044/4885STING1 4636/4885HDAC1 189/4885
US-20120220603-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF PAIN AND EPILEPSY CACNA1B, SCN1A, CACNA1I GRM4 756/4885STING1 3342/4885HDAC1 149/4885
US-20250127747-A1 Prodrugs of Fumarates and Their Use in Treating Various Diseases FH, FAH, GLS2 GRM4 3044/4885STING1 4636/4885HDAC1 189/4885
US-20240101554-A1 CYCLIN-DEPENDENT KINASE 7 (CDK7) NON-COVALENT INHIBITORS CDK7, CDK9, CDK1 GRM4 3918/4885STING1 4395/4885HDAC1 453/4885

“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.