SCHEMBL5160549

SCHEMBL5160549

O=C(O)CCc1cnc([C@@]2(F)CCCN2C(=O)Cc2cc(Cl)c(NC(=O)c3csc4ccccc34)cc2Cl)s1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 12/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
PIK3CA P42336 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
HTT P42858 1/20 0.33
ITGB1 P05556 1/20 0.32
ITGA4 P13612 1/20 0.32

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
SCHEMBL5160616 0.95 ITGB1 (0.36) FFAR2HTR1ADRD2DRD4DRD3
SCHEMBL5160249 0.87 ITGB1 (0.46) TP53THRBITGB1ITGA4
SCHEMBL5161828 0.86 ITGB1 (0.35) FFAR2HTR1ADRD2DRD4DRD3
SCHEMBL5407542 0.84 ITGA4 (0.36) FFAR2HTR1ADRD2DRD4DRD3
SCHEMBL5160790 0.83 ITGB1 (0.50) TP53THRBITGB1ITGA4
SCHEMBL5162628 0.82 ITGB1 (0.34) FFAR2ALDH1A1RAB9ASMN1; SMN2ITGB1
SCHEMBL5161508 0.81 ITGB1 (0.45) ALDH1A1TP53THRBITGB1ITGA4
SCHEMBL5164370 0.81 UTS2R (0.37) PTGDR2ITGB1ITGA4
SCHEMBL14371646 0.79 ITGA4 (0.35) FFAR2PIK3CAITGB1ITGA4
SCHEMBL14371684 0.79 ITGB1 (0.37) PIK3CAPTGDR2ALDH1A1RAB9ASMN1; SMN2

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 FFAR2 1197/4885HTR1A 2077/4885DRD2 2483/4885

“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.