SCHEMBL4648922

SCHEMBL4648922

COC(=O)[C@H](Cc1ccc(-c2c(OC)cc(C=O)cc2OC)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 3/20 0.52
ITGB7 P26010 3/20 0.52
KLK5 Q9Y337 1/20 0.48
CTSS P25774 6/20 0.46
CTSK P43235 5/20 0.46
ACE P12821 1/20 0.42
EPHX2 P34913 1/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
HDAC1 Q13547 4/20 0.41
HDAC6 Q9UBN7 4/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
ITGB3 P05106 1/20 0.40
ITGA2B P08514 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
SCHEMBL4648927 1.00 ITGA4 (0.52) ITGA4ITGB7KLK5CTSSCTSK
SCHEMBL4648164 0.89 ITGA4 (0.50) ITGA4ITGB7KLK5CTSSCTSK
SCHEMBL4648158 0.89 ITGA4 (0.50) ITGA4ITGB7KLK5CTSSCTSK
SCHEMBL4648153 0.89 ITGA4 (0.50) ITGA4ITGB7KLK5CTSSCTSK
SCHEMBL4649226 0.88 ITGA4 (0.54) ITGA4ITGB7KLK5CTSSCTSK
SCHEMBL919680 0.88 ITGA4 (0.54) ITGA4ITGB7KLK5CTSSCTSK
SCHEMBL1824118 0.86 ITGA4 (0.56) ITGA4ITGB7KLK5CTSSCTSK
SCHEMBL30759357 0.85 KLK5 (0.55) KLK5CTSSCTSKACECTSL
SCHEMBL12028561 0.85 KLK5 (0.55) KLK5CTSSCTSKACECTSL
SCHEMBL21540449 0.84 ITGA4 (0.51) ITGA4ITGB7KLK5CTSSCTSK

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
EP-1701933-B1 NOVEL COMPOUNDS MITSUBISHI TANABE PHARMA CORP (JP) 2008-09-03 EP disclosed
US-20070043113-A1 Novel compounds TANABE SEIYAKU CO., LTD. (JP) 2007-02-22 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-20070043113-A1 Novel compounds VCAM1, ICAM1, EPCAM ITGA4 762/4885ITGB7 709/4885KLK5 4222/4885

“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.