SCHEMBL2433463

SCHEMBL2433463

CC(C)(C)OC(=O)C(O)(F)N1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.36
HPGD P15428 1/20 0.36
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CTSK P43235 1/20 0.34
PREP P48147 2/20 0.33
MAPT P10636 1/20 0.31
EPHX1 P07099 1/20 0.31
CHRM3 P20309 1/20 0.30

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
SCHEMBL28750768 1.00 DGAT1 (0.36) DGAT1HPGDUSP2SMN1; SMN2CTSK
SCHEMBL72410 0.78 DGAT1 (0.38) DGAT1HPGDUSP2SMN1; SMN2CTSK
SCHEMBL2433990 0.76 DGAT1 (0.35) DGAT1HPGDUSP2SMN1; SMN2CTSK
SCHEMBL18921418 0.75 CTSK (0.42) DGAT1HPGDUSP2SMN1; SMN2CTSK
SCHEMBL10760132 0.74 DGAT1 (0.34) DGAT1HPGDUSP2SMN1; SMN2CTSK
SCHEMBL4948386 0.73 DGAT1 (0.41) DGAT1HPGDUSP2SMN1; SMN2CTSK
SCHEMBL3163754 0.72 HPGD (0.38) DGAT1HPGDUSP2SMN1; SMN2CTSK
SCHEMBL8563199 0.70 CTSK (0.36) DGAT1HPGDUSP2SMN1; SMN2CTSK
SCHEMBL22296098 0.67 DGAT1 (0.50) DGAT1USP2SMN1; SMN2
SCHEMBL14213166 0.67 DGAT1 (0.50) DGAT1USP2SMN1; SMN2

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 9 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-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-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 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-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
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 (4 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 DGAT1 1027/4885HPGD 4160/4885USP2 4855/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 DGAT1 998/4885HPGD 4172/4885USP2 4816/4885
US-20040110945-A1 Vla-4 inhibitors VCAM1, ITGA1, ITGB4 DGAT1 1075/4885HPGD 4476/4885USP2 4531/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 DGAT1 1040/4885HPGD 4207/4885USP2 4853/4885

“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.