SCHEMBL3897654

SCHEMBL3897654

NC(=S)Nc1ccc(P(=O)(O)O)cc1.[NaH]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50
ALOX12 P18054 1/20 0.50
CYP2C19 P33261 1/20 0.50
TP53 P04637 1/20 0.50
TYR P14679 1/20 0.50
TSHR P16473 1/20 0.50
TAS2R38 P59533 1/20 0.50
HSD17B10 Q99714 1/20 0.50
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA5A P35218 1/20 0.45
KIF11 P52732 1/20 0.43

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
SCHEMBL3899943 0.98 ALDH1A1 (0.52) ALDH1A1CYP3A4CYP2D6CYP2C9HPGD
SCHEMBL3905759 0.82 PEPD (0.55) ALDH1A1HSD17B10KMT2AGAAMAPT
SCHEMBL13714968 0.82 TAS2R38 (0.52) ALDH1A1CYP3A4TSHRTAS2R38KMT2A
SCHEMBL3896764 0.81 ALDH1A1 (0.41) ALDH1A1CYP3A4CYP2D6CYP2C9HPGD
SCHEMBL27471998 0.80 PEPD (0.57) ALDH1A1HSD17B10KMT2AGAAMAPT
SCHEMBL3897659 0.79 ALDH1A1 (0.48) ALDH1A1CYP3A4CYP2D6CYP2C9HPGD
SCHEMBL3895508 0.78 ALDH1A1 (0.42) ALDH1A1CYP3A4CYP2D6CYP2C9HPGD
SCHEMBL725810 0.78 ALDH1A1 (0.75) ALDH1A1CYP3A4CYP2D6CYP2C9HPGD
SCHEMBL3895844 0.77 ENPP2 (0.49) ALDH1A1CYP3A4CYP2D6CYP2C9HPGD
SCHEMBL3895536 0.77 ALDH1A1 (0.59) ALDH1A1CYP3A4CYP2D6CYP2C9HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572459-B2 Prevention infections in humans, animals STARPHARMA PTY LTD. (AU) 2009-08-11 US disclosed
EP-1113806-B1 ANIONIC OR CATIONIC DENDRIMER ANTIMICROBIAL OR ANTIPARASITIC COMPOSITIONS STARPHARMA PTY LTD (AU) 2007-09-05 EP disclosed
EP-0927217-B1 ANGIOGENIC INHIBITORY COMPOUNDS STARPHARMA PTY LTD (AU) 2006-05-03 EP disclosed
CN-1161128-C Angiogenic inhibitory compounds О 2004-08-11 CN disclosed
EP-1113805-A4 INHIBITION OF TOXIC MATERIALS OR SUBSTANCES USING DENDRIMERS STARPHARMA LTD (AU) 2004-05-19 EP disclosed
US-20030129158-A1 Anionic or cationic dendrimer antimicrobial or antiparasitic compositions STARPHARMA LIMITED 2003-07-10 US disclosed
EP-1113806-A4 ANIONIC OR CATIONIC DENDRIMER ANTIMICROBIAL OR ANTIPARASITIC COMPOSITIONS STARPHARMA LTD (AU) 2003-06-25 EP disclosed
EP-0927217-A4 ANGIOGENIC INHIBITORY COMPOUNDS BIOMOLECULAR RES INST LTD (AU) 2003-04-23 EP disclosed
US-6464971-B1 ANIONIC-CONTAINING MOIETY IS A NEURAMINIC- OR SIALIC ACID-CONTAINING. MOIETY, IT IS MODIFIED IN THE 4-POSITION BY SUBSTITUTION WITH AN AMINO, AMIDO, CYANO, AZIDO OR GUANIDO GROUP, OR IS UNSATURATED. STARPHARMA LIMITED (AU) 2002-10-15 US disclosed
US-6426067-B1 CARDIOVASCULAR DISORDERS; ANTITUMOR AGENTS BIOMOLECULAR RESEARCH INSTITUTE, LTD. (AU) 2002-07-30 US disclosed
EP-1113805-A1 INHIBITION OF TOXIC MATERIALS OR SUBSTANCES USING DENDRIMERS Starpharma Limited (AU) 2001-07-11 EP disclosed
EP-1113806-A1 ANIONIC OR CATIONIC DENDRIMER ANTIMICROBIAL OR ANTIPARASITIC COMPOSITIONS Starpharma Limited (AU) 2001-07-11 EP disclosed
WO-2000015240-A1 ANIONIC OR CATIONIC DENDRIMER ANTIMICROBIAL OR ANTIPARASITIC COMPOSITIONS STARPHARMA LIMITED (AU) 2000-03-23 WO disclosed
WO-2000015239-A1 INHIBITION OF TOXIC MATERIALS OR SUBSTANCES USING DENDRIMERS STARPHARMA LIMITED (AU) 2000-03-23 WO disclosed
CN-1225654-A Angiogenic inhibitory compounds BIOMOLECULAR RES INST LTD (AU) 1999-08-11 CN disclosed
EP-0927217-A1 ANGIOGENIC INHIBITORY COMPOUNDS BIOMOLECULAR RESEARCH INSTITUTE LTD. (AU) 1999-07-07 EP disclosed
WO-1998003573-A1 ANGIOGENIC INHIBITORY COMPOUNDS BIOMOLECULAR RESEARCH INSTITUTE LTD. (AU) 1998-01-29 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 (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-20030129158-A1 Anionic or cationic dendrimer antimicrobial or antiparasitic compositions FUT6, B3GNT2, SIGLEC7 ALDH1A1 2800/4885CYP3A4 4055/4885CYP2D6 3465/4885

“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.