SCHEMBL16009180

SCHEMBL16009180

CC(=O)OC[C@H]1O[C@@H](NC(=O)CN)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 16/20 0.64
▸ CA1 P00915 16/20 0.64
▸ CA2 P00918 16/20 0.64
▸ CA9 Q16790 16/20 0.64
▸ CA14 Q9ULX7 12/20 0.53
▸ PRKCA P17252 1/20 0.50
▸ AKT1 P31749 1/20 0.50
▸ PTK2 Q05397 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ THRB P10828 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ TSHR P16473 1/20 0.49
▸ NR3C1 P04150 1/20 0.49
▸ FYN P06241 1/20 0.49
▸ ADRA2A P08913 1/20 0.49
▸ ADORA3 P0DMS8 1/20 0.49
▸ ADRA2B P18089 1/20 0.49
▸ DRD4 P21917 1/20 0.49
▸ DRD3 P35462 1/20 0.49

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
SCHEMBL4616952 0.88 CA12 (0.54) CA12CA1CA2CA9CA14
SCHEMBL4616950 0.88 CA12 (0.54) CA12CA1CA2CA9CA14
SCHEMBL16009284 0.87 CA12 (0.59) CA12CA1CA2CA9CA14
SCHEMBL13903999 0.86 CA12 (0.61) CA12CA1CA2CA9CA14
SCHEMBL13480225 0.86 CA12 (0.67) CA12CA1CA2CA9CA14
SCHEMBL13163929 0.86 CA12 (0.67) CA12CA1CA2CA9CA14
SCHEMBL3267262 0.86 CA12 (0.67) CA12CA1CA2CA9CA14
SCHEMBL7151935 0.86 CA12 (0.67) CA12CA1CA2CA9CA14
SCHEMBL7151688 0.86 CA12 (0.67) CA12CA1CA2CA9CA14
SCHEMBL8763428 0.86 CA12 (0.67) 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-9085598-B2 Compounds targeting the cell invasion protein complex, their pharmaceutical compositions and methods of use thereof THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2015-07-21 — — US disclosed
US-20140256659-A1 Compounds Targeting the Cell Invasion Protein Complex, Their Pharmaceutical Compositions and Methods of Use Thereof THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2014-09-11 — — 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-20140256659-A1 Compounds Targeting the Cell Invasion Protein Complex, Their Pharmaceutical Compositions and Methods of Use Thereof PTK2, ILK, CTTN CA12 2331/4885CA1 1861/4885CA2 1652/4885

“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.

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