SCHEMBL5999732

SCHEMBL5999732

O=C[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@H](O)COCc1ccccc1.c1ccc(CCc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.38
SLC1A1 P43005 3/20 0.38
SLC1A3 P43003 2/20 0.38
SLC1A2 P43004 2/20 0.38
CYP2C19 P33261 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
TACR1 P25103 3/20 0.37
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL4833427 1.00 CA1 (0.42) CA1CA2CA7CA9KMT2A
SCHEMBL1561831 0.96 CA1 (0.45) CA1CA2CA7CA9KMT2A
SCHEMBL2562479 0.96 CA1 (0.45) CA1CA2CA7CA9KMT2A
SCHEMBL3751041 0.96 CA1 (0.45) CA1CA2CA7CA9KMT2A
SCHEMBL1263178 0.96 CA1 (0.45) CA1CA2CA7CA9KMT2A
SCHEMBL19970649 0.96 CA1 (0.45) CA1CA2CA7CA9KMT2A
SCHEMBL23292518 0.92 CA1 (0.44) CA1CA2CA7CA9KMT2A
SCHEMBL2290678 0.92 CA1 (0.44) CA1CA2CA7CA9KMT2A
SCHEMBL1479599 0.92 CA1 (0.44) CA1CA2CA7CA9KMT2A
SCHEMBL1674203 0.92 CA1 (0.44) CA1CA2CA7CA9KMT2A

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-7148223-B2 Compounds for use as viricides, anticarcinogenic agents and inhibit DNA replication SOUTHERN RESEARCH INSTITUTE (US) 2006-12-12 US disclosed
US-6914061-B2 4′-thio-L-xylofuranosyl nucleosides, precursors thereof, preparation and use thereof SOUTHERN RESEARCH INSTITUTE (US) 2005-07-05 US disclosed
US-20050130969-A1 4'-Thio-L-xyloy furanosyl nucleosides, precursors thereof, preparation and use thereof SOUTHERN RESEARCH INSTITUTE (US) 2005-06-16 US disclosed
US-20030144235-A1 Anticarcinogenic agents for treating cancer, a viricides for viral diseases, inhibit DNA replication SOUTHERN RESEARCH INSTITUTE 2003-07-31 US disclosed
WO-2001066118-A1 4'-THIO-L-XYLO FURANOSYL NUCLEOSIDES, PRECURSORS THEREOF, PREPARATION AND USE THEREOF SOUTHERN RESEARCH INSTITUTE (US) 2001-09-13 WO 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-20030144235-A1 Anticarcinogenic agents for treating cancer, a viricides for viral diseases, inhibit DNA replication POLL, PCNA, YWHAZ CA1 4275/4885CA2 1966/4885CA7 2197/4885
US-20050130969-A1 4'-Thio-L-xyloy furanosyl nucleosides, precursors thereof, preparation and use thereof POLL, PNP, UNG CA1 4751/4885CA2 4173/4885CA7 3358/4885

“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.