SCHEMBL3400935

SCHEMBL3400935

NC=C(N)COC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.64
CCNB1 P14635 1/20 0.64
CA2 P00918 2/20 0.42
CA9 Q16790 1/20 0.42
LDHA P00338 1/20 0.40
EPHX2 P34913 4/20 0.38
ADORA1 P30542 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC6A2 P23975 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
GAA P10253 1/20 0.30
TYR P14679 1/20 0.30

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
SCHEMBL28105422 0.87 CDK1 (0.66) CDK1CCNB1CA2CA9LDHA
SCHEMBL460228 0.87 CDK1 (0.66) CDK1CCNB1CA2CA9LDHA
SCHEMBL27877094 0.84 CDK1 (0.75) CDK1CCNB1CA2CA9LDHA
SCHEMBL9393818 0.83 CDK1 (0.65) CDK1CCNB1CA2CA9LDHA
SCHEMBL4623411 0.83 CDK1 (0.67) CDK1CCNB1CA2CA9LDHA
SCHEMBL29287549 0.82 CDK1 (0.66) CDK1CCNB1CA2CA9LDHA
SCHEMBL3507329 0.82 CDK1 (0.66) CDK1CCNB1CA2CA9LDHA
SCHEMBL108212 0.82 CDK1 (0.72) CDK1CCNB1CA2CA9LDHA
SCHEMBL27801162 0.82 CDK1 (0.72) CDK1CCNB1CA2CA9LDHA
SCHEMBL27548559 0.82 CDK1 (0.72) CDK1CCNB1CA2CA9LDHA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575122-B2 Controlled release auris sensory cell modulator compositions and methods for the treatment of otic disorders OTONOMY, INC. (US) 2013-11-05 US disclosed
US-8496957-B2 Controlled release auris sensory cell modulator compositions and methods for the treatment of otic disorders OTONOMY, INC (US) 2013-07-30 US disclosed
US-20100273864-A1 CONTROLLED RELEASE AURIS SENSORY CELL MODULATOR COMPOSITIONS AND METHODS FOR THE TREATMENT OF OTIC DISORDERS OTONOMY, INC. (US) 2010-10-28 US disclosed
US-20100015263-A1 CONTROLLED RELEASE AURIS SENSORY CELL MODULATOR COMPOSITIONS AND METHODS FOR THE TREATMENT OF OTIC DISORDERS OTONOMY, INC. (US) 2010-01-21 US disclosed
US-20090325938-A1 CONTROLLED-RELEASE CNS MODULATING COMPOSITIONS AND METHODS FOR THE TREATMENT OF OTIC DISORDERS OTONOMY, INC. (US) 2009-12-31 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 (3 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-20100015263-A1 CONTROLLED RELEASE AURIS SENSORY CELL MODULATOR COMPOSITIONS AND METHODS FOR THE TREATMENT OF OTIC DISORDERS OTC, MYOC, S100B CDK1 2641/4885CCNB1 2963/4885CA2 131/4885
US-20090325938-A1 CONTROLLED-RELEASE CNS MODULATING COMPOSITIONS AND METHODS FOR THE TREATMENT OF OTIC DISORDERS OTC, SLC18A2, PMP22 CDK1 2685/4885CCNB1 2790/4885CA2 247/4885
US-20100273864-A1 CONTROLLED RELEASE AURIS SENSORY CELL MODULATOR COMPOSITIONS AND METHODS FOR THE TREATMENT OF OTIC DISORDERS OTC, MYOC, S100B CDK1 2641/4885CCNB1 2963/4885CA2 131/4885

“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.