SCHEMBL2058823

SCHEMBL2058823

CC(=O)N[C@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@](COC(C)=O)(C2CC[C@@]3(C)C(CC[C@H]4[C@@H]5CC[C@H]([C@H](C)CCCC(C)C)[C@@]5(C)CC[C@@H]43)C2)O[C@@H]1O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CDC25A P30304 4/20 0.49
▸ POLA1 P09884 1/20 0.49
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ VDR P11473 2/20 0.46
▸ USP2 O75604 2/20 0.46
▸ INPP5D Q92835 1/20 0.46
▸ GPBAR1 Q8TDU6 2/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ HPSE Q9Y251 2/20 0.44
▸ FOLH1 Q04609 1/20 0.43
▸ ST6GAL1 P15907 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CASP7 P55210 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL2058819 1.00 CDC25A (0.49) CDC25APOLA1CYP2D6CYP2C19VDR
SCHEMBL2059340 0.83 EBP (0.48) CDC25APOLA1CYP2D6CYP2C19VDR
SCHEMBL2059335 0.83 EBP (0.48) CDC25APOLA1CYP2D6CYP2C19VDR
SCHEMBL2059168 0.82 CDC25A (0.52) CDC25APOLA1CYP2D6CYP2C19VDR
SCHEMBL2059165 0.82 CDC25A (0.52) CDC25APOLA1CYP2D6CYP2C19VDR
SCHEMBL12590996 0.76 HPSE (0.59) CDC25APOLA1HPSE
SCHEMBL2058821 0.76 HPSE (0.59) CDC25APOLA1HPSE
SCHEMBL24403430 0.74 VDR (0.79) CDC25APOLA1CYP2D6CYP2C19VDR
SCHEMBL13214256 0.74 VDR (0.79) CDC25APOLA1CYP2D6CYP2C19VDR
SCHEMBL11371121 0.74 VDR (0.79) CDC25APOLA1CYP2D6CYP2C19VDR

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-1921086-B1 ANTITUMOR AGENT OTSUKA PHARMA CO LTD (JP) 2014-04-16 — — EP disclosed
US-7968116-B2 Antitumor agent OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-06-28 — — US disclosed
US-20100292176-A1 ANTITUMOR AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-11-18 — — US disclosed
EP-1921086-A1 ANTITUMOR AGENT Otsuka Pharmaceutical Co., Ltd. (JP) 2008-05-14 — — 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-20100292176-A1 ANTITUMOR AGENT CYP46A1, CETP, GYS2 CDC25A 731/4885POLA1 1501/4885CYP2D6 3175/4885

“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.

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