SCHEMBL2429244

SCHEMBL2429244

COC(=O)c1ccc(OC(F)(C(=O)OC(C)(C)C)N2CCCC2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
MAPK1 P28482 2/20 0.39
GABRA5 P31644 3/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
KDM4E B2RXH2 2/20 0.38
GPR119 Q8TDV5 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CRBN Q96SW2 3/20 0.35
DDB1 Q16531 1/20 0.35
ERAP2 Q6P179 1/20 0.35
ERAP1 Q9NZ08 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
GLA P06280 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL5152960 0.83 GPR119 (0.41) LMNANPC1RAB9AKMT2AKDM4E
SCHEMBL2937150 0.75 MAPK1 (0.57) LMNAMAPK1GABRA5NPC1RAB9A
SCHEMBL5155312 0.71 CA1 (0.43) NPC1RAB9AKMT2AL3MBTL1KDM4E
SCHEMBL2429237 0.70 CA1 (0.42) NPC1RAB9AKMT2AL3MBTL1KDM4E
SCHEMBL72410 0.70 DGAT1 (0.38) SMN1; SMN2MAPT
SCHEMBL20474664 0.69 L3MBTL1 (0.70) LMNAMAPK1GABRA5L3MBTL1KDM4E
SCHEMBL5152045 0.69 KDM4E (0.41) NPC1RAB9AKMT2AL3MBTL1KDM4E
SCHEMBL2432683 0.69 KDM4E (0.41) NPC1RAB9AKMT2AL3MBTL1KDM4E
SCHEMBL2431102 0.69 MAPK1 (0.46) LMNAMAPK1GABRA5NPC1RAB9A
SCHEMBL2716266 0.68 L3MBTL1 (0.56) LMNAMAPK1GABRA5L3MBTL1KDM4E

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 LMNA 2852/4885MAPK1 485/4885GABRA5 1773/4885

“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.