SCHEMBL5163701

SCHEMBL5163701

COC(=O)CCc1cnc([C@@H]2CCC[N+]2(C(=O)OC(C)(C)C)N2CCN(CC(F)(F)F)CC2)s1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 6/20 0.31
IDH1 O75874 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
SCHEMBL5164386 0.88
SCHEMBL5162075 0.85
SCHEMBL5161527 0.84
Hydrochloric Acid SCHEMBL5161217 0.76 HPGDS (0.33) HPGDSIDH1
Hydrochloric Acid SCHEMBL5160056 0.76 HPGDS (0.33) HPGDSIDH1
SCHEMBL14371822 0.73
SCHEMBL14371831 0.72 POLQ (0.31) HPGDSIDH1
SCHEMBL5162229 0.71 HRH3 (0.33)
SCHEMBL6178048 0.70 ALDH1A1 (0.43)
SCHEMBL5160587 0.70 ALDH1A1 (0.43)

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 HPGDS 3121/4885IDH1 4174/4885

“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.