SCHEMBL15216690

SCHEMBL15216690

Cc1ccc2c(-c3ccc(NC(=S)NCCOCCOCCNC(=O)O[C@@H]([C@@H]4OC(P(=O)(O)O)=C[C@H](NC(=N)N)[C@H]4C)[C@H](O)CO)cc3C(=O)O)c3ccc(=O)cc-3oc2c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 4/20 0.43
CA1 P00915 7/20 0.43
CA2 P00918 7/20 0.43
CA9 Q16790 7/20 0.43
CA12 O43570 6/20 0.43
BTK Q06187 1/20 0.41
CA14 Q9ULX7 2/20 0.41
CA7 P43166 1/20 0.41
PTGER3 P43115 1/20 0.39
FKBP1A P62942 2/20 0.39
ELF3 P78545 2/20 0.39
MED23 Q9ULK4 2/20 0.39
ADORA3 P0DMS8 2/20 0.38
ADORA2A P29274 2/20 0.38

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
SCHEMBL15216670 0.95 CA1 (0.49) HTR3ACA1CA2CA9CA12
SCHEMBL15216686 0.93 CA12 (0.44) HTR3ACA1CA2CA9CA12
SCHEMBL15218282 0.90 CA1 (0.48) HTR3ACA1CA2CA9CA12
SCHEMBL15216663 0.88 CA1 (0.51) HTR3ACA1CA2CA9CA12
SCHEMBL18720047 0.88 CA1 (0.51) HTR3ACA1CA2CA9CA12
SCHEMBL15216676 0.88 CA1 (0.51) HTR3ACA1CA2CA9CA12
SCHEMBL15216667 0.84 CA1 (0.50) HTR3ACA1CA2CA9CA12
SCHEMBL15218363 0.83 CA1 (0.50) HTR3ACA1CA2CA9CA12
SCHEMBL15218283 0.83 CA1 (0.50) HTR3ACA1CA2CA9CA12
SCHEMBL18736957 0.81 CA12 (0.43) HTR3ACA1CA2CA9CA12

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-20170102387-A1 ZANAMIVIR PHOSPHONATE CONGENERS WITH ANTI-INFLUENZA ACTIVITY AND DETERMINING OSELTAMIVIR SUSCEPTIBILITY OF INFLUENZA VIRUSES ACADEMIA SINICA (TW) 2017-04-13 US disclosed
US-20130225532-A1 ZANAMIVIR PHOSPHONATE CONGENERS WITH ANTI-INFLUENZA ACTIVITY AND DETERMINING OSELTAMIVIR SUSCEPTIBILITY OF INFLUENZA VIRUSES ACADEMIA SINICA (TW) 2013-08-29 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-20130225532-A1 ZANAMIVIR PHOSPHONATE CONGENERS WITH ANTI-INFLUENZA ACTIVITY AND DETERMINING OSELTAMIVIR SUSCEPTIBILITY OF INFLUENZA VIRUSES NEU1, NEU3, NEU4 HTR3A 1355/4885CA1 1685/4885CA2 1677/4885

“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.