SCHEMBL5160862

SCHEMBL5160862

COC(=O)CCc1cnc([C@@H]2CCCN2OCC(=O)OCc2ccccc2)o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
PREP P48147 2/20 0.37
HTT P42858 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
FKBP1A P62942 1/20 0.36
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GRIN2B Q13224 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35

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 0.73 FKBP1A (0.52) PREPFKBP1ATSHRCYP3A4ALDH1A1
SCHEMBL5161440 0.72 SCD (0.36) MEN1KMT2AL3MBTL1NPC1RAB9A
SCHEMBL5160073 0.72 HTT (0.39) CYP11B1CYP11B2PREPHTTTDP1
SCHEMBL5163745 0.71 HTT (0.48) PREPHTTMEN1KMT2AFKBP1A
SCHEMBL3578383 0.70 SMN1; SMN2 (0.47) PREPFKBP1AL3MBTL1NPC1RAB9A
SCHEMBL5158304 0.70 SMN1; SMN2 (0.47) PREPFKBP1AL3MBTL1NPC1RAB9A
SCHEMBL5717223 0.69 TMEM97 (0.52) PREPKDM4EFKBP1ATSHRL3MBTL1
SCHEMBL12234863 0.68 PREP (0.51) PREPKDM4ETSHRL3MBTL1
SCHEMBL18850571 0.66 PREP (0.49) PREPKDM4EMEN1KMT2ATSHR
SCHEMBL18850637 0.65 HCRTR1 (0.52) PREPKDM4ETSHRL3MBTL1

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 CYP11B1 725/4885CYP11B2 1477/4885PREP 2026/4885

“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.