SCHEMBL92404

SCHEMBL92404

O=C(O)c1ccc(OC[C@@H]2C[C@@H](O)CN2C(=O)OCc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.50
NR4A2 P43354 1/20 0.50
NR4A3 Q92570 1/20 0.50
POLB P06746 1/20 0.48
SRD5A2 P31213 1/20 0.47
PLA2G4B P0C869 1/20 0.45
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
ITGA4 P13612 11/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNA5 P30532 1/20 0.42
CHRNA7 P36544 1/20 0.42
CHRNA4 P43681 1/20 0.42
LTA4H P09960 1/20 0.42
PKM P14618 1/20 0.40
ITGB1 P05556 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
SCHEMBL14254474 0.89 POLB (0.48) POLBKDM4ELMNACHRNB2CHRNA5
SCHEMBL91574 0.89 POLB (0.48) POLBKDM4ELMNACHRNB2CHRNA5
SCHEMBL8437402 0.82 POLB (0.46) POLBLMNACHRNB2CHRNA7CHRNA4
SCHEMBL31722127 0.82 POLB (0.55) POLB
SCHEMBL26714275 0.82 POLB (0.55) POLB
SCHEMBL9639986 0.81 POLB (0.54) POLB
SCHEMBL8520682 0.80 POLB (0.48) POLBITGB1
SCHEMBL8660402 0.80 POLB (0.55) POLB
SCHEMBL14012812 0.80 POLB (0.55) POLB
SCHEMBL12164616 0.80 POLB (0.55) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120157437-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-06-21 US disclosed
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 (2 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-20120157437-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 NR4A1 261/4885NR4A2 224/4885NR4A3 214/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 NR4A1 368/4885NR4A2 252/4885NR4A3 194/4885

“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.