SCHEMBL15216685

SCHEMBL15216685

Cc1ccc2c(-c3ccc(NC(=S)NCCCCCn4cc(CNC(=O)O[C@@H]([C@@H]5OC(C(=O)O)=C[C@H](NC(=N)N)[C@H]5C)[C@H](O)CO)nn4)cc3C(=O)O)c3ccc(=O)cc-3oc2c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
CA12 O43570 4/20 0.42
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
CA9 Q16790 4/20 0.42
CA14 Q9ULX7 2/20 0.42
HTR3A P46098 3/20 0.41
AVPR2 P30518 1/20 0.40
OXTR P30559 1/20 0.40
ADORA3 P0DMS8 3/20 0.39
ADORA2A P29274 3/20 0.39
ADORA1 P30542 1/20 0.39
BTK Q06187 2/20 0.39
FKBP1A P62942 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
SCHEMBL15216675 0.96 HDAC3 (0.48) HDAC3HDAC6NCOR2CA12CA1
SCHEMBL12185042 0.91 HDAC3 (0.48) HDAC3HDAC6NCOR2CA12CA1
SCHEMBL17452084 0.88 HDAC3 (0.45) HDAC3HDAC6NCOR2CA12CA1
SCHEMBL15216686 0.86 CA12 (0.44) CA12CA1CA2CA9CA14
SCHEMBL15218369 0.85 CA1 (0.50) CA12CA1CA2CA9CA14
SCHEMBL15216676 0.82 CA1 (0.51) CA12CA1CA2CA9CA14
SCHEMBL15216663 0.82 CA1 (0.51) CA12CA1CA2CA9CA14
SCHEMBL18720047 0.82 CA1 (0.51) CA12CA1CA2CA9CA14
SCHEMBL12185011 0.81 HDAC3 (0.37) HDAC3HDAC6NCOR2CA12CA1
SCHEMBL15216690 0.80 HTR3A (0.43) CA12CA1CA2CA9CA14

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 HDAC3 2771/4885HDAC6 2502/4885NCOR2 4008/4885

“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.