SCHEMBL5154892

SCHEMBL5154892

CC(C)(C)OC(=O)N1CCCC1COc1ccc(Br)cc1F

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.47
FEN1 P39748 1/20 0.47
FPR3 P25089 1/20 0.47
FPR2 P25090 1/20 0.47
AAK1 Q2M2I8 2/20 0.45
SCN9A Q15858 1/20 0.42
USP30 Q70CQ3 2/20 0.42
F2RL3 Q96RI0 4/20 0.42
GPR119 Q8TDV5 2/20 0.41
CNR2 P34972 1/20 0.41

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
SCHEMBL29002701 0.97 ALOX5AP (0.45) ALOX5APFEN1FPR3FPR2AAK1
SCHEMBL2259269 0.89 ALOX5AP (0.49) ALOX5APFEN1SCN9AF2RL3
SCHEMBL13419700 0.88 ALOX5AP (0.51) ALOX5APFEN1SCN9AF2RL3GPR119
SCHEMBL15300841 0.88 FPR3 (0.47) ALOX5APFEN1FPR3FPR2F2RL3
SCHEMBL15300843 0.88 FPR3 (0.47) ALOX5APFEN1FPR3FPR2F2RL3
SCHEMBL5156379 0.85 ALOX5AP (0.46) ALOX5APFEN1SCN9AUSP30F2RL3
SCHEMBL2200803 0.85 ALOX5AP (0.50) ALOX5APFEN1F2RL3
SCHEMBL13419614 0.84 ALOX5AP (0.47) ALOX5APFEN1SCN9AF2RL3
SCHEMBL29992782 0.83 FPR3 (0.47) ALOX5APFEN1FPR3FPR2USP30
SCHEMBL604148 0.82 FPR3 (0.51) ALOX5APFEN1FPR3FPR2GPR119

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 5 patents. 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
US-7179819-B2 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 US disclosed
US-20040229858-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-11-18 US disclosed
US-6756378-B2 BENZYL -UREA, -THIOUREA, OR -GUANIDINE DERIVATIVES THAT INHIBIT THE BINDING OF LIGANDS TO ALPHA 4 BETA 1 INTEGRIN (VLA-4) PHARMACOPEIA DRUG DISCOVERY, INC. 2004-06-29 US disclosed
US-20030078249-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-24 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 (3 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-20030078249-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGA4 ALOX5AP 229/4885FEN1 4684/4885FPR3 268/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 ALOX5AP 246/4885FEN1 4687/4885FPR3 303/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 ALOX5AP 257/4885FEN1 4669/4885FPR3 294/4885

“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.