SCHEMBL5149980

SCHEMBL5149980

CC(C)(C)OC(=O)N1CCCC1COc1ccc(C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.48
CHEK2 O96017 1/20 0.48
HRH2 P25021 1/20 0.48
HRH1 P35367 1/20 0.48
GPR119 Q8TDV5 2/20 0.47
FEN1 P39748 1/20 0.47
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.45
LTA4H P09960 1/20 0.43

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
SCHEMBL5149970 1.00 ALOX5AP (0.48) ALOX5APCHEK2HRH2HRH1GPR119
SCHEMBL4319444 0.90 ALOX5AP (0.47) ALOX5APCHEK2HRH2HRH1GPR119
SCHEMBL4319448 0.90 ALOX5AP (0.47) ALOX5APCHEK2HRH2HRH1GPR119
SCHEMBL938053 0.89 ABHD6 (0.50) ALOX5APGPR119FEN1NPC1
SCHEMBL938055 0.89 ABHD6 (0.50) ALOX5APGPR119FEN1NPC1
SCHEMBL27936838 0.89 ABHD6 (0.50) ALOX5APGPR119FEN1NPC1
SCHEMBL4316669 0.89 NPC1 (0.54) ALOX5APCHEK2HRH2HRH1GPR119
SCHEMBL5151622 0.89 NPC1 (0.47) ALOX5APCHEK2HRH2HRH1GPR119
SCHEMBL4316665 0.89 NPC1 (0.54) ALOX5APCHEK2HRH2HRH1GPR119
SCHEMBL4324219 0.88 LTA4H (0.48) ALOX5APGPR119LTA4H

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 229/4885CHEK2 4806/4885HRH2 2677/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 ALOX5AP 246/4885CHEK2 4827/4885HRH2 2740/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 ALOX5AP 257/4885CHEK2 4838/4885HRH2 2565/4885

“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.