SCHEMBL5069245

SCHEMBL5069245

C[C@H](CS(=O)(=O)c1ccccc1)[C@H]1CC[C@H]2[C@@H](O)CCC[C@]12C

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 3/20 0.52
CDC25B P30305 1/20 0.52
CYP24A1 Q07973 4/20 0.42
NR1H4 Q96RI1 9/20 0.42
VDR P11473 1/20 0.39
GPBAR1 Q8TDU6 2/20 0.38
CYP27B1 O15528 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37

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
SCHEMBL10353003 0.90 CDC25A (0.51) CDC25ACDC25BCYP24A1NR1H4CA1
SCHEMBL5066627 0.83 CDC25A (0.41) CDC25ACDC25BCYP24A1NR1H4VDR
SCHEMBL12489329 0.83 CYP24A1 (0.59) CDC25ACDC25BCYP24A1NR1H4VDR
SCHEMBL12489598 0.83 CYP24A1 (0.59) CDC25ACDC25BCYP24A1NR1H4VDR
SCHEMBL12487933 0.82 CYP24A1 (0.55) CDC25ACDC25BCYP24A1NR1H4CYP27B1
SCHEMBL12408048 0.82 CYP24A1 (0.55) CDC25ACDC25BCYP24A1NR1H4CYP27B1
SCHEMBL16317533 0.81 CDC25A (0.42) CDC25ACDC25BCYP24A1NR1H4VDR
SCHEMBL25479009 0.77 GPBAR1 (0.64) NR1H4VDRGPBAR1CA1CA2
SCHEMBL20087697 0.77 GPBAR1 (0.64) NR1H4VDRGPBAR1CA1CA2
SCHEMBL19430542 0.77 GPBAR1 (0.64) NR1H4VDRGPBAR1CA1CA2

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 2256/4885CYP24A1 1/4885

“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.