Sugi Predict

Sugi Predict / Compounds / SCHEMBL12232187

SCHEMBL12232187

SCHEMBL12232187

COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3C[C@@H]5COC(c6cccs6)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 7/20 0.78
▸ GAA P10253 5/20 0.78
▸ SMN1; SMN2 Q16637 5/20 0.78
▸ TOP2A P11388 5/20 0.78
▸ TOP2B Q02880 4/20 0.78
▸ NCOA3 Q9Y6Q9 2/20 0.78
▸ ATM Q13315 1/20 0.78
▸ USP2 O75604 1/20 0.78
▸ ABCC3 O15438 1/20 0.78
▸ ABCC4 O15439 1/20 0.78
▸ LMNA P02545 4/20 0.57
▸ HIF1A Q16665 3/20 0.57
▸ MEN1 O00255 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ HSD17B10 Q99714 2/20 0.57
▸ CYP2C9 P11712 2/20 0.57
▸ CYP2C19 P33261 2/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ CYP2D6 P10635 1/20 0.57
▸ NCOA1 Q15788 1/20 0.57

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
SCHEMBL16436129 1.00 CYP3A4 (0.78) CYP3A4GAASMN1; SMN2TOP2ATOP2B
SCHEMBL15112706 1.00 CYP3A4 (0.78) CYP3A4GAASMN1; SMN2TOP2ATOP2B
Teniposide SCHEMBL13712547 0.88 CYP3A4 (1.00) CYP3A4GAASMN1; SMN2TOP2ATOP2B
Teniposide SCHEMBL12278906 0.88 CYP3A4 (1.00) CYP3A4GAASMN1; SMN2TOP2ATOP2B
Teniposide SCHEMBL14008692 0.88 CYP3A4 (1.00) CYP3A4GAASMN1; SMN2TOP2ATOP2B
Teniposide SCHEMBL23202938 0.88 CYP3A4 (1.00) CYP3A4GAASMN1; SMN2TOP2ATOP2B
Teniposide SCHEMBL94844 0.88 CYP3A4 (1.00) CYP3A4GAASMN1; SMN2TOP2ATOP2B
Teniposide SCHEMBL13809319 0.88 CYP3A4 (1.00) CYP3A4GAASMN1; SMN2TOP2ATOP2B
Teniposide SCHEMBL14031677 0.88 CYP3A4 (1.00) CYP3A4GAASMN1; SMN2TOP2ATOP2B
Teniposide SCHEMBL6027493 0.88 CYP3A4 (1.00) CYP3A4GAASMN1; SMN2TOP2ATOP2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140073779-A9 CONJUGATES COMPRISING HYDROXYALKYL STARCH AND A CYTOTOXIC AGENT AND PROCESS FOR THEIR PREPARATION FRESENIUS KABI DEUTSCHLAND GMBH (DE) 2014-03-13 — — US disclosed
US-20140073779-A9 CONJUGATES COMPRISING HYDROXYALKYL STARCH AND A CYTOTOXIC AGENT AND PROCESS FOR THEIR PREPARATION FRESENIUS KABI DEUTSCHLAND GMBH (DE) 2014-03-13 — — US disclosed
US-20130184455-A1 CONJUGATES COMPRISING HYDROXYALKYL STARCH AND A CYTOTOXIC AGENT AND PROCESS FOR THEIR PREPARATION FRESENIUS KABI DEUTSCHLAND GMBH (DE) 2013-07-18 — — US disclosed
US-20130184455-A1 CONJUGATES COMPRISING HYDROXYALKYL STARCH AND A CYTOTOXIC AGENT AND PROCESS FOR THEIR PREPARATION FRESENIUS KABI DEUTSCHLAND GMBH (DE) 2013-07-18 — — US disclosed
US-20110262525-A1 METHODS OF TREATMENT SCHERING CORPORATION (US) 2011-10-27 — — US disclosed
US-20110262525-A1 METHODS OF TREATMENT SCHERING CORPORATION (US) 2011-10-27 — — US 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-20110262525-A1 METHODS OF TREATMENT ASAH2, FOLH1, CD44 CYP3A4 4405/4885GAA 410/4885SMN1; SMN2 818/4885

“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.