SCHEMBL5066627

SCHEMBL5066627

CC(=O)O[C@H]1CCC[C@]2(C)[C@@H]([C@H](C)CS(=O)(=O)c3ccccc3)CC[C@@H]12

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 4/20 0.41
CDC25B P30305 1/20 0.41
USP2 O75604 1/20 0.39
VDR P11473 1/20 0.39
NR1H4 Q96RI1 8/20 0.38
CYP24A1 Q07973 2/20 0.37
BCHE P06276 1/20 0.37
CYP1A2 P05177 1/20 0.36

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
SCHEMBL5069245 0.83 CDC25A (0.52) CDC25ACDC25BVDRNR1H4CYP24A1
SCHEMBL13853984 0.78 CDC25A (0.50) CDC25ACDC25BUSP2VDRNR1H4
SCHEMBL13392661 0.78 CDC25A (0.50) CDC25ACDC25BUSP2VDR
SCHEMBL4180944 0.78 CDC25A (0.50) CDC25ACDC25BUSP2VDR
SCHEMBL6830893 0.78 CDC25A (0.50) CDC25ACDC25BUSP2VDR
SCHEMBL8502677 0.76 CDC25A (0.48) CDC25ACDC25BUSP2VDRNR1H4
SCHEMBL6690597 0.76 CDC25A (0.48) CDC25ACDC25BUSP2VDRNR1H4
SCHEMBL10019058 0.75 SRD5A2 (0.44) CDC25ACDC25B
SCHEMBL12634971 0.75 SRD5A2 (0.44) CDC25ACDC25B
SCHEMBL12634972 0.75 SRD5A2 (0.44) CDC25ACDC25B

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-1061070-B1 Process for the preparation of ED-71 CHUGAI PHARMACEUTICAL CO LTD (JP) 2008-07-16 EP disclosed
US-6538145-B2 Having a hydroxy group at 24-position and, optionally, a substituent at 2 beta position; reacting intermediates of the A ring part and intermediates of the C ring; cyclization; coupling; control of calcium metabolism; antitumor agents CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-03-25 US disclosed
US-20020094972-A1 24-hydroxy vitamin D derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-07-18 US disclosed
EP-1061070-A1 24-HYDROXYVITAMIN D DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2000-12-20 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-20020094972-A1 24-hydroxy vitamin D derivatives CYP24A1, VDR, CYP2R1 CDC25A 1723/4885CDC25B 2256/4885USP2 992/4885

“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.