SCHEMBL4698443

SCHEMBL4698443

CCCC[C@H](NC(=O)N[C@@H](CC(=O)O)c1ccc2c(c1)OCO2)C(=O)N(Cc1cccs1)Cc1cccs1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.43
GAA P10253 1/20 0.42
TAS1R3 Q7RTX0 3/20 0.40
TAS1R1 Q7RTX1 3/20 0.40
ITGB3 P05106 7/20 0.39
ITGA2B P08514 6/20 0.39
ITGAV P06756 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.38
KMT2A Q03164 1/20 0.37

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
SCHEMBL17009347 1.00 POLB (0.46) POLBHPGDTRPM8GAATAS1R3
SCHEMBL6127212 1.00 POLB (0.46) POLBHPGDTRPM8GAATAS1R3
SCHEMBL6127110 1.00 POLB (0.46) POLBHPGDTRPM8GAATAS1R3
SCHEMBL6122200 1.00 POLB (0.46) POLBHPGDTRPM8GAATAS1R3
SCHEMBL20530282 1.00 POLB (0.46) POLBHPGDTRPM8GAATAS1R3
SCHEMBL4700500 0.96 POLB (0.43) POLBHPGDTRPM8GAATAS1R3
SCHEMBL7900077 0.96 HPGD (0.44) POLBHPGDTRPM8GAATAS1R3
SCHEMBL24119265 0.95 POLB (0.47) POLBHPGDTRPM8GAATAS1R3
SCHEMBL7901816 0.93 POLB (0.45) POLBHPGDTRPM8GAATAS1R3
SCHEMBL4698454 0.93 POLB (0.42) POLBHPGDTRPM8GAATAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1071680-B1 N,N-DISUBSTITUTED AMIDES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS ENCYSIVE PHARMACEUTICALS INC (US) 2008-07-23 EP claimed
US-6194448-B1 ANTIINFLAMMATORY AGENTS; ASTHMA; RHEUMATIC DISORDERS TEXAS BIOTECHNOLOGY CORPORATION 2001-02-27 US claimed
US-20250206825-A1 COMPOSITION FOR PREVENTING OR TREATING MYOCARDITIS, COMPRISING VLA-4 INHIBITOR OSAKA UNIVERSITY (JP) 2025-06-26 US disclosed
WO-2025058075-A1 RADIOACTIVE POSITRON-EMITTING NUCLIDE CARBON-11 LABELED COMPOUND AND RADIOACTIVE COMPOSITION 国立大学法人大阪大学 2025-03-20 WO disclosed
EP-4491196-A1 COMPOSITION FOR PREVENTING OR TREATING MYOCARDITIS, COMPRISING VLA-4 INHIBITOR OSAKA UNIVERSITY (JP) 2025-01-15 EP disclosed
CN-118871130-A Compositions for preventing or treating myocarditis comprising VLA-4 blocking substance 国立大学法人大阪大学 2024-10-29 CN disclosed
WO-2023196342-A1 α4β1/7 INTEGRIN LIGAND CONJUGATED COMPOUNDS AND USES THEREOF ADARX PHARMACEUTICALS, INC. (US) 2023-10-12 WO disclosed
WO-2023171789-A1 COMPOSITION FOR PREVENTING OR TREATING MYOCARDITIS, COMPRISING VLA-4 INHIBITOR 国立大学法人大阪大学 2023-09-14 WO disclosed
EP-1071680-B1 N,N-DISUBSTITUTED AMIDES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS ENCYSIVE PHARMACEUTICALS INC (US) 2008-07-23 EP disclosed
US-20050222193-A1 Novel combination for the treatment of airway disorders ALTANA PHARMA AG (DE) 2005-10-06 US disclosed
WO-2005074932-A1 THE USE OF (S) - PANTOPRAZOLE MAGNESIUM FOR THE TREATMENT OF AIRWAY DISORDERS ALTANA PHARMA AG (DE) 2005-08-18 WO disclosed
US-20050165041-A1 Combination for the treatment of airway disorders ALTANA PHARMA AG (DE) 2005-07-28 US disclosed
EP-1517706-A2 COMBINATION OF A PROTON PUMP INHIBITOR AND A RESPIRATORY AGENT FOR THE TREATMENT OF RESPIRATORY DISEASES ALTANA Pharma AG (DE) 2005-03-30 EP disclosed
EP-1506016-A2 NEW COMBINATION OF REVERSIBLE PROTON PUMP INHIBITORS AND AIRWAY THERAPEUTICS FOR TREATING AIRWAY DISORDERS ALTANA Pharma AG (DE) 2005-02-16 EP disclosed
WO-2003094967-A2 NEW COMBINATION OF REVERSIBLE PROTON PUMP INHIBITORS AND AIRWAY THERAPEUTICS FOR TREATING AIRWAY DISORDERS ALTANA PHARMA AG (DE) 2003-11-20 WO disclosed
WO-2003094968-A2 COMBINATION OF A PROTON PUMP INHIBITOR AND A RESPIRATORY AGENT FOR THE TREATMENT OF RESPIRATORY DISEASES ALTANA PHARMA AG (DE) 2003-11-20 WO disclosed
US-6194448-B1 ANTIINFLAMMATORY AGENTS; ASTHMA; RHEUMATIC DISORDERS TEXAS BIOTECHNOLOGY CORPORATION 2001-02-27 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-20250206825-A1 COMPOSITION FOR PREVENTING OR TREATING MYOCARDITIS, COMPRISING VLA-4 INHIBITOR FABP3, TNNI3, MYLK2 POLB 4701/4885HPGD 4581/4885TRPM8 806/4885

“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.