SCHEMBL5178697

SCHEMBL5178697

CC(C)O[C@]1(c2ncc(CCC(=O)O)s2)CCCN1C(=O)Cc1cc(F)c(NC(=O)c2coc3ccccc23)c(Cl)c1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.34
DHODH Q02127 3/20 0.32
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
FFAR2 O15552 1/20 0.31
FSCN1 Q16658 1/20 0.31
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 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
SCHEMBL5160672 0.87 PTGDR2 (0.34) PTGDR2HTR1ADRD2DRD4DRD3
SCHEMBL5160838 0.77 ITGB1 (0.49) FSCN1
SCHEMBL5407542 0.76 ITGA4 (0.36) PTGDR2HTR1ADRD2DRD4DRD3
SCHEMBL5163398 0.76 ITGB1 (0.44) PTGDR2
SCHEMBL5158931 0.75 ITGA4 (0.37) PTGDR2HTR1ADRD2DRD4DRD3
SCHEMBL5178693 0.75 PTGDR2 (0.33) PTGDR2DHODH
SCHEMBL5160946 0.70 ITGB1 (0.43) MAPT
SCHEMBL5160853 0.70 ITGB1 (0.36) HTR1ADRD2DRD4DRD3
SCHEMBL5160876 0.68 ITGB1 (0.33) HTR1ADRD2DRD4DRD3FFAR2
SCHEMBL14371605 0.68 ITGA4 (0.42) PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070232601-A1 Vla-4 Inhibitor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-10-04 US disclosed
EP-1757602-A1 VLA-4 INHIBITOR DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-28 EP 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-20070232601-A1 Vla-4 Inhibitor VCAM1, ITGB4, ITGA4 PTGDR2 2692/4885DHODH 2837/4885HTR1A 2077/4885

“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.