SCHEMBL2431943

SCHEMBL2431943

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

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.33
TSHR P16473 2/20 0.32
MAPT P10636 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
SCHEMBL72410 0.78 DGAT1 (0.38) DGAT1MAPT
SCHEMBL15449199 0.69 TSHR (0.50) TSHRMAPT
SCHEMBL2075717 0.68 TSHR (0.55) DGAT1TSHRMAPT
SCHEMBL28750768 0.68 DGAT1 (0.36) DGAT1MAPT
SCHEMBL2433463 0.68 DGAT1 (0.36) DGAT1MAPT
SCHEMBL198184 0.67 TSHR (0.52) TSHRMAPT
Hydrochloric Acid SCHEMBL27853842 0.67 TSHR (0.52) DGAT1TSHRMAPT
SCHEMBL4948386 0.65 DGAT1 (0.41) DGAT1
Dimethyl Succinate SCHEMBL28230766 0.64 TSHR (0.45) TSHRMAPT
SCHEMBL18467707 0.64 TSHR (0.48) TSHRMAPT

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 DGAT1 1075/4885TSHR 1243/4885MAPT 4631/4885

“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.