SCHEMBL72410

SCHEMBL72410

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

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.38
HPGD P15428 1/20 0.34
MAPT P10636 1/20 0.33
CTSK P43235 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PREP P48147 2/20 0.31

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 0.78 DGAT1 (0.36) DGAT1HPGDMAPTCTSKUSP2
SCHEMBL4948386 0.78 DGAT1 (0.41) DGAT1HPGDCTSKUSP2SMN1; SMN2
SCHEMBL2433463 0.78 DGAT1 (0.36) DGAT1HPGDMAPTCTSKUSP2
SCHEMBL2431943 0.78 DGAT1 (0.33) DGAT1MAPT
SCHEMBL2433990 0.73 DGAT1 (0.35) DGAT1HPGDCTSKUSP2SMN1; SMN2
SCHEMBL18921418 0.72 CTSK (0.42) DGAT1HPGDMAPTCTSKUSP2
SCHEMBL3163754 0.69 HPGD (0.38) DGAT1HPGDCTSKUSP2SMN1; SMN2
SCHEMBL8563199 0.68 CTSK (0.36) DGAT1HPGDCTSKUSP2SMN1; SMN2
SCHEMBL10760132 0.68 DGAT1 (0.34) DGAT1HPGDCTSKUSP2SMN1; SMN2
SCHEMBL14213166 0.64 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130065882-A1 VLA-4 inhibitory drug MACHINAGA NOBUO (JP) 2013-03-14 US disclosed
US-20120157437-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-06-21 US disclosed
US-8129366-B2 VLA-4 inhibitory drug DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-06 US disclosed
US-20090233901-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-17 US disclosed
EP-1961750-A1 VLA-4 INHIBITORY DRUG Daiichi Sankyo Company, Limited (JP) 2008-08-27 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 (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-20120157437-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 DGAT1 1447/4885HPGD 1752/4885MAPT 4775/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 DGAT1 1251/4885HPGD 1734/4885MAPT 4773/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 DGAT1 1581/4885HPGD 2201/4885MAPT 4795/4885

“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.