SCHEMBL3896772

SCHEMBL3896772

NC(=S)Nc1cc(P(=O)=O)cc(P(=O)=O)c1.[NaH].[NaH]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
TP53 P04637 1/20 0.42
TYR P14679 1/20 0.42
TSHR P16473 1/20 0.42
TAS2R38 P59533 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.34
KIF11 P52732 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL3895512 0.98 ALDH1A1 (0.43) ALDH1A1TP53TYRTSHRTAS2R38
SCHEMBL3896069 0.68 L3MBTL1 (0.52) ALDH1A1TP53TYRTSHRTAS2R38
SCHEMBL3902202 0.67 ALDH1A1 (0.41) ALDH1A1TP53TYRTSHRTAS2R38
SCHEMBL3896764 0.67 ALDH1A1 (0.41) ALDH1A1TP53TYRTSHRTAS2R38
SCHEMBL4324931 0.66 ALDH1A1 (0.63) ALDH1A1TP53TYRTSHRTAS2R38
SCHEMBL220272 0.66 ALDH1A1 (0.48) ALDH1A1TP53TYRTSHRTAS2R38
SCHEMBL1881297 0.66 CYP1A2 (0.64) ALDH1A1TP53TYRTSHRTAS2R38
SCHEMBL1748177 0.66 ALDH1A1 (0.48) ALDH1A1TP53TYRTSHRTAS2R38
SCHEMBL219165 0.66 ALDH1A1 (0.48) ALDH1A1TP53TYRTSHRTAS2R38
SCHEMBL27927996 0.66 CYP1A2 (0.53) ALDH1A1TP53TYRTSHRTAS2R38

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 2 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
US-20030129158-A1 Anionic or cationic dendrimer antimicrobial or antiparasitic compositions STARPHARMA LIMITED 2003-07-10 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 (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 2800/4885TP53 4839/4885TYR 1214/4885

“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.