SCHEMBL2058841

SCHEMBL2058841

COc1ccc(O[C@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2N2C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ TP53 P04637 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ TSHR P16473 1/20 0.47
▸ MAPT P10636 2/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ P4HB P07237 1/20 0.46
▸ PDIA4 P13667 1/20 0.46
▸ PDIA3 P30101 1/20 0.46
▸ CA12 O43570 2/20 0.45
▸ CA2 P00918 2/20 0.45
▸ CA9 Q16790 2/20 0.45
▸ CA1 P00915 1/20 0.45

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
SCHEMBL2058839 1.00 CYP3A4 (0.52) CYP3A4MEN1KMT2ATP53CYP2C9
SCHEMBL8335488 0.93 TSHR (0.52) CYP3A4MEN1KMT2ATP53ALDH1A1
SCHEMBL8335489 0.93 TSHR (0.52) CYP3A4MEN1KMT2ATP53ALDH1A1
SCHEMBL8002809 0.89 CYP3A4 (0.46) CYP3A4MEN1KMT2ATP53CYP2C9
SCHEMBL2785854 0.88 TSHR (0.52) KMT2ALMNATSHRCYP2D6P4HB
SCHEMBL16327524 0.88 TSHR (0.54) KMT2ALMNATSHRCYP2D6P4HB
SCHEMBL13461633 0.88 TSHR (0.54) KMT2ALMNATSHRCYP2D6P4HB
SCHEMBL230379 0.88 TSHR (0.54) KMT2ALMNATSHRCYP2D6P4HB
SCHEMBL7028056 0.88 TSHR (0.54) KMT2ALMNATSHRCYP2D6P4HB
SCHEMBL1527155 0.88 TSHR (0.54) KMT2ALMNATSHRCYP2D6P4HB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10144849-B2 Polishing composition and polishing method using the same FUJIMI INCORPORATED (JP) 2018-12-04 — — US disclosed
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-20100301014-A1 Polishing Composition and Polishing Method Using the Same FUJIMI INCORPORATED (JP) 2010-12-02 — — US disclosed
US-20100292176-A1 ANTITUMOR AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-11-18 — — US disclosed
EP-2237311-A1 POLISHING COMPOSITION AND POLISHING METHOD USING THE SAME FUJIMI INCORPORATED (JP) 2010-10-06 — — EP disclosed
US-20090176970-A1 Preparation of Thiosugars and Their Use GLYCOFORM LIMITED (GB) 2009-07-09 — — 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 (2 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-20090176970-A1 Preparation of Thiosugars and Their Use TST, TREH, FUT6 CYP3A4 1719/4885MEN1 3757/4885KMT2A 4254/4885
US-20100292176-A1 ANTITUMOR AGENT CYP46A1, CETP, GYS2 CYP3A4 1325/4885MEN1 1205/4885KMT2A 3640/4885

“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.

Send feedback