SCHEMBL2432276

SCHEMBL2432276

COC(=O)c1ccc(OC(F)N2CCCC2)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
ALOX15 P16050 1/20 0.44
KDM4E B2RXH2 2/20 0.43
RAB9A P51151 2/20 0.43
NOTUM Q6P988 1/20 0.43
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 5/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MGLL Q99685 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 1/20 0.40
GAA P10253 1/20 0.39
GLA P06280 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL2430756 0.82 ALDH1A1 (0.51) RAB9ASMN1; SMN2NPSR1ALDH1A1MEN1
SCHEMBL2431062 0.80 SLC6A2 (0.56) SLC6A4SLC6A2SLC6A3KDM4ERAB9A
SCHEMBL6529701 0.76 MGLL (0.49) KDM4ENOTUMALDH1A1MGLLMEN1
SCHEMBL2431102 0.74 MAPK1 (0.46) SLC6A4SLC6A2SLC6A3KDM4ERAB9A
SCHEMBL10088418 0.74 MGLL (0.48) NOTUMSMN1; SMN2ALDH1A1MGLLKMT2A
SCHEMBL35861 0.72 MAPT (0.64) ALOX15NOTUMALDH1A1MGLLMEN1
SCHEMBL2714459 0.71 MGLL (0.48) RAB9ANOTUMALDH1A1L3MBTL1MGLL
SCHEMBL20021951 0.71 PDE4B (0.54) SMN1; SMN2HRH3
SCHEMBL2616166 0.71 SMN1; SMN2 (0.64) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL8282542 0.70 TAS1R3 (0.47) NOTUMALDH1A1L3MBTL1MGLLKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1346982-B1 VLA-4 INHIBITORS DAIICHI SEIYAKU CO (JP) 2011-09-14 EP disclosed
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 US disclosed
US-20040110945-A1 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-10 US disclosed
EP-1346982-A1 VLA-4 INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-09-24 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-20040110945-A1 Vla-4 inhibitors VCAM1, ITGA1, ITGB4 SLC6A4 1314/4885SLC6A2 2179/4885SLC6A3 3162/4885

“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.