SCHEMBL5152494

SCHEMBL5152494

COc1ccccc1NC(=O)Nc1ccc(CC(=O)C(F)(Oc2ccc(C(=O)O)cc2)N2CCCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.52
NPC1 O15118 7/20 0.52
MAPT P10636 5/20 0.52
TP53 P04637 1/20 0.49
ALOX15 P16050 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
ITGA4 P13612 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
THRB P10828 1/20 0.46
MEN1 O00255 2/20 0.45
LMNA P02545 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
P2RY1 P47900 5/20 0.44
FAAH O00519 1/20 0.42
EPHX2 P34913 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL5149725 0.93 RAB9A (0.52) RAB9ANPC1MAPTTP53ALOX15
SCHEMBL5153406 0.90 MAPT (0.47) RAB9ANPC1MAPTITGA4MEN1
SCHEMBL5152922 0.90 EPHX2 (0.50) RAB9ANPC1TP53MEN1KMT2A
SCHEMBL6210735 0.90 ITGA4 (0.50) RAB9ANPC1MAPTITGA4L3MBTL1
SCHEMBL5150038 0.89 P2RY1 (0.46) RAB9ANPC1ITGA4THRBMEN1
SCHEMBL5155651 0.88 P2RY1 (0.45) RAB9ANPC1SMN1; SMN2ITGA4THRB
SCHEMBL6208854 0.86 ITGA4 (0.57) SMN1; SMN2ITGA4
SCHEMBL6210969 0.85 ITGA4 (0.58) ITGA4
SCHEMBL6212266 0.85 ITGA4 (0.58) MAPTSMN1; SMN2ITGA4LMNAKMT2A
SCHEMBL5151727 0.85 ITGA4 (0.51) MAPTITGA4L3MBTL1MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070054909-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 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-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 RAB9A 1984/4885NPC1 3300/4885MAPT 3296/4885

“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.