SCHEMBL5162632

SCHEMBL5162632

COC(=O)CCc1cnc(N2CC[C@H](OC(C)C(=O)OC(C)(C)C)C2)s1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.41
SCD O00767 2/20 0.34
TMPRSS15 P98073 3/20 0.33
LMNA P02545 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 2/20 0.32
ACACB O00763 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 1/20 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
Hydrochloric Acid SCHEMBL5160760 0.86 HRH3 (0.45) HRH3SCDTMPRSS15LMNATDP1
SCHEMBL5418202 0.83 HRH3 (0.44) HRH3SCDTMPRSS15ALDH1A1ACACB
SCHEMBL5162622 0.82 HRH3 (0.33) HRH3LMNATDP1ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL5158987 0.82 HRH3 (0.43) HRH3SCDTMPRSS15ALDH1A1ACACB
Hydrochloric Acid SCHEMBL5161930 0.82 HRH3 (0.43) HRH3SCDTMPRSS15ALDH1A1ACACB
SCHEMBL5164431 0.80 HRH3 (0.37) HRH3SCDTMPRSS15LMNAALDH1A1
SCHEMBL5160264 0.80 HRH3 (0.46) HRH3SCDTMPRSS15ALDH1A1GAA
SCHEMBL5163240 0.80 HRH3 (0.42) HRH3SCDTMPRSS15ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL5161121 0.78 HRH3 (0.43) HRH3SCDTMPRSS15LMNATDP1
SCHEMBL5161507 0.77 HRH3 (0.40) HRH3TMPRSS15ALDH1A1GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070232601-A1 Vla-4 Inhibitor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-10-04 US disclosed
EP-1757602-A1 VLA-4 INHIBITOR DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-28 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-20070232601-A1 Vla-4 Inhibitor VCAM1, ITGB4, ITGA4 HRH3 468/4885SCD 3538/4885TMPRSS15 1554/4885

“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.