SCHEMBL85318

SCHEMBL85318

CCOC(=O)[C@H]1CC[C@H](OC[C@@H]2C[C@@H](OB(N)O)CN2C)CC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
ALDH1A1 P00352 7/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PKM P14618 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KCNH2 Q12809 2/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL85236 0.81 MAPT (0.40) MAPTALDH1A1MEN1KMT2ACYP3A4
SCHEMBL10225788 0.81 MAPT (0.40) MAPTALDH1A1MEN1KMT2ACYP3A4
SCHEMBL84822 0.81 MAPT (0.40) MAPTALDH1A1MEN1KMT2ACYP3A4
SCHEMBL85319 0.78 PKM (0.37) MAPTALDH1A1MEN1KMT2ACYP2C19
SCHEMBL10225804 0.77 MEN1 (0.38) MAPTALDH1A1MEN1KMT2ACYP3A4
SCHEMBL85417 0.76 MEN1 (0.37) MAPTALDH1A1MEN1KMT2ACYP3A4
SCHEMBL14592457 0.74 ITGB1 (0.38) MAPTALDH1A1NPSR1POLBSMN1; SMN2
SCHEMBL10225799 0.73 PKM (0.47) MAPTALDH1A1MEN1KMT2APKM
SCHEMBL85315 0.73 PKM (0.47) MAPTALDH1A1MEN1KMT2APKM
SCHEMBL14592693 0.72 MAPT (0.40) MAPTALDH1A1MEN1KMT2ACYP3A4

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-8129366-B2 VLA-4 inhibitory drug DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-06 US disclosed
US-20090233901-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-17 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-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 MAPT 4795/4885ALDH1A1 525/4885MEN1 4226/4885

“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.