SCHEMBL630301

SCHEMBL630301

OCC1OC(O)C(O)C(O)C1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.51
PDE4D Q08499 1/20 0.46
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
TACR2 P21452 1/20 0.43
PDPK1 O15530 2/20 0.43
MTOR P42345 1/20 0.43
LGALS8 O00214 1/20 0.42
HRAS P01112 2/20 0.40
SLC5A2 P31639 2/20 0.40
BCHE P06276 1/20 0.39
GJB2 P29033 1/20 0.39

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
SCHEMBL6659183 1.00 SLC6A2 (0.51) SLC6A2PDE4DTSHRCYP2C19TACR2
SCHEMBL969972 1.00 SLC6A2 (0.51) SLC6A2PDE4DTSHRCYP2C19TACR2
SCHEMBL969974 1.00 SLC6A2 (0.51) SLC6A2PDE4DTSHRCYP2C19TACR2
SCHEMBL8960128 0.95 SLC6A2 (0.52) SLC6A2PDE4DTSHRCYP2C19TACR2
SCHEMBL8960525 0.95 SLC6A2 (0.52) SLC6A2PDE4DTSHRCYP2C19TACR2
SCHEMBL8960125 0.95 SLC6A2 (0.52) SLC6A2PDE4DTSHRCYP2C19TACR2
SCHEMBL8960350 0.95 SLC6A2 (0.52) SLC6A2PDE4DTSHRCYP2C19TACR2
SCHEMBL8960222 0.95 SLC6A2 (0.52) SLC6A2PDE4DTSHRCYP2C19TACR2
SCHEMBL8960215 0.95 SLC6A2 (0.52) SLC6A2PDE4DTSHRCYP2C19TACR2
SCHEMBL6552387 0.92 SLC6A2 (0.50) SLC6A2PDE4DTSHRCYP2C19TACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165578-B1 METHODS AND COMPOSITIONS FOR THE MANUFACTURE OF C-3' AND C-4' ANTHRACYCLINE ANTIBIOTICS PRIEBE WALDEMAR (US) 2012-02-22 EP disclosed
US-7557090-B2 Anthracycline antibiotics and methods of treating cancer using the same HOUSTON PHARMACEUTICALS, INC. (US) 2009-07-07 US disclosed
US-20070037758-A1 administering with a DNA damaging agent; modified alkyl-aromatic ring substitutions on the C-3' of the sugar moiety or alkyl-aromatic ring substitutions at the C-4' of the sugar; cytotoxicity; antitumor, anticarcinogenic agents; multidrug resistance; compounds act by intercalating with DNA HOUSTON PHARMACEUTICALS, INC. (US) 2007-02-15 US disclosed
US-7109177-B2 Methods and compositions for the manufacture of C-3′ and C-4′ anthracycline antibiotics HOUSTON PHARMACEUTICALS, INC. (US) 2006-09-19 US disclosed
US-6673907-B2 NOVEL SUBSTITUTED TETRACYCLINES WITH MODIFIED ALKYL-AROMATIC RING SUBSTITUTIONS ON THE C-3' AND/OR C-4' OF THE SUGAR MOIETY; CYTOTOXICITY; ANTITUMOR, -CARCINOGENIC AGENTS; MULTIDRUG RESISTANCE HOUSTON PHARMACEUTICALS, INC. 2004-01-06 US disclosed
US-20020137694-A1 Methods and compositions for the manufacture of C-3' and C-4' anthracycline antibiotics NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-09-26 US disclosed
EP-1165578-A4 METHODS AND COMPOSITIONS FOR THE MANUFACTURE OF C-3' AND C-4' ANTHRACYCLINE ANTIBIOTICS PRIEBE WALDEMAR (US) 2002-08-28 EP disclosed
EP-1165578-A2 METHODS AND COMPOSITIONS FOR THE MANUFACTURE OF C-3' AND C-4' ANTHRACYCLINE ANTIBIOTICS Priebe, Waldemar (US) 2002-01-02 EP disclosed
WO-2000056267-A2 METHODS AND COMPOSITIONS FOR THE MANUFACTURE OF C-3' AND C-4' ANTHRACYCLINE ANTIBIOTICS PRIEBE WALDEMAR (US) 2000-09-28 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-20070037758-A1 administering with a DNA damaging agent; modified alkyl-aromatic ring substitutions on the C-3' of the sugar moiety or alkyl-aromatic ring substitutions at the C-4' of the sugar; cytotoxicity; antitumor, anticarcinogenic agents; multidrug resistance; compounds act by intercalating with DNA PCNA, DDB1, TOP1 SLC6A2 1868/4885PDE4D 3302/4885TSHR 3741/4885
US-20020137694-A1 Methods and compositions for the manufacture of C-3' and C-4' anthracycline antibiotics HCCS, GALE, BCL3 SLC6A2 3427/4885PDE4D 1329/4885TSHR 3680/4885

“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.