SCHEMBL5163745

SCHEMBL5163745

COC(=O)CCC(=O)CNC(=O)[C@@H]1CCCN1OCC(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.48
PRCP P42785 1/20 0.43
FKBP1A P62942 6/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PREP P48147 1/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
TP53 P04637 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL5158343 0.82 FKBP1A (0.52) FKBP1ANPSR1PREPALDH1A1CYP3A4
SCHEMBL5158304 0.79 SMN1; SMN2 (0.47) FKBP1APREPALDH1A1SMN1; SMN2RAB9A
SCHEMBL3578383 0.79 SMN1; SMN2 (0.47) FKBP1APREPALDH1A1SMN1; SMN2RAB9A
SCHEMBL5160942 0.79 SMN1; SMN2 (0.37) FKBP1ANPSR1KMT2AALDH1A1SMN1; SMN2
SCHEMBL11584633 0.72 PRCP (0.68) PRCPNPSR1PREPKMT2AALDH1A1
SCHEMBL19182782 0.72 HTT (0.54) HTTNPSR1ALDH1A1SMN1; SMN2MAPT
SCHEMBL5160189 0.71 FKBP1A (0.46) HTTPRCPFKBP1ANPSR1PREP
SCHEMBL5160862 0.71 CYP11B1 (0.38) HTTFKBP1APREPKMT2AALDH1A1
SCHEMBL13745767 0.69 KMT2A (0.58) HTTPRCPFKBP1ANPSR1KMT2A
SCHEMBL5494817 0.69 KMT2A (0.58) HTTPRCPFKBP1ANPSR1KMT2A

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 HTT 3765/4885PRCP 4605/4885FKBP1A 1684/4885

“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.