SCHEMBL5820359

SCHEMBL5820359

COc1ccc(CO[C@@H]([C@@H](C)CO)[C@@H](C)CO[Si](C)(C)C(C)(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.37
AGXT P21549 2/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CASR P41180 1/20 0.36
TBXAS1 P24557 3/20 0.34
CYP2C9 P11712 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
OGA O60502 2/20 0.34
APLNR P35414 1/20 0.34
TSHR P16473 1/20 0.33
MAPT P10636 1/20 0.33
CALM1 P0DP23 2/20 0.33
SLC6A4 P31645 1/20 0.33
POLB P06746 1/20 0.32

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
SCHEMBL1751885 0.84 IDO1 (0.35) IDO1AGXTCA1CA2CASR
SCHEMBL1751884 0.84 IDO1 (0.35) IDO1AGXTCA1CA2CASR
SCHEMBL5820033 0.84 IDO1 (0.35) IDO1AGXTCA1CA2CASR
SCHEMBL1751842 0.84 IDO1 (0.35) IDO1AGXTCA1CA2CASR
SCHEMBL4848914 0.81 CA1 (0.44) IDO1AGXTCA1CA2CASR
SCHEMBL5819050 0.80 IDO1 (0.33) IDO1AGXTCA1CA2CASR
SCHEMBL5819046 0.80 IDO1 (0.33) IDO1AGXTCA1CA2CASR
SCHEMBL5819052 0.80 IDO1 (0.33) IDO1AGXTCA1CA2CASR
SCHEMBL14567496 0.80 APLNR (0.37) IDO1AGXTCA1CA2CASR
SCHEMBL14253536 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7148218-B2 Certain substituted polyketides, pharmaceutical compositions containing them and their use in treating tumors NOVARTIS AG (CH) 2006-12-12 US disclosed
EP-1312608-B1 Discodermolide analogues and their pharmaceutical use NOVARTIS AG (CH) 2006-08-02 EP disclosed
US-20050080080-A1 Certain substituted polyketides, pharmaceutical compositions containing them and their use in treating tumors KINDER FREDERICK R (US) 2005-04-14 US disclosed
US-6833367-B2 A polyhydroxy-polymethyl-8-tridecenoic acid 8-lactone compounds, as antitumor agents, anticarcinogenic agents NOVARTIS AC (CH) 2004-12-21 US disclosed
US-20030153601-A1 Certain substituted polyketides, pharmac eutical compositions containing them and their use in treating tumors NOVARTIS AG (CH) 2003-08-14 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 (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-20030153601-A1 Certain substituted polyketides, pharmac eutical compositions containing them and their use in treating tumors PBK, BCKDK, ETV6 IDO1 1376/4885AGXT 630/4885CA1 3468/4885
US-20050080080-A1 Certain substituted polyketides, pharmaceutical compositions containing them and their use in treating tumors PBK, HCCS, BCKDK IDO1 2473/4885AGXT 455/4885CA1 3636/4885

“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.