SCHEMBL5239461

SCHEMBL5239461

NC1COCCN1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA9 Q16790 3/20 0.39
CA2 P00918 2/20 0.39
PDK1 Q15118 3/20 0.33
KDM4E B2RXH2 2/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
TSHR P16473 1/20 0.31
FKBP1A P62942 1/20 0.31
GLA P06280 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
PDK2 Q15119 1/20 0.30
PDK3 Q15120 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
SCHEMBL5710042 0.85 CA12 (0.40) CA12CA1CA9CA2PDK1
SCHEMBL14645780 0.79 CA12 (0.56) CA12CA1CA9CA2PDK1
SCHEMBL21805912 0.79 CA12 (0.56) CA12CA1CA9CA2PDK1
SCHEMBL3991346 0.79 CA12 (0.56) CA12CA1CA9CA2PDK1
Hydrochloric Acid SCHEMBL29178584 0.78 CA12 (0.55) CA12CA1CA9CA2PDK1
Hydrochloric Acid SCHEMBL29178589 0.78 CA12 (0.55) CA12CA1CA9CA2PDK1
Hydrochloric Acid SCHEMBL29178585 0.78 CA12 (0.55) CA12CA1CA9CA2PDK1
SCHEMBL925416 0.77 CA12 (0.40) CA12CA1CA9CA2PDK1
SCHEMBL1150296 0.76 CA12 (0.44) CA12CA1CA9CA2PDK1
SCHEMBL29022309 0.76 CA12 (0.44) CA12CA1CA9CA2PDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778652-A2 COMPOSITIONS AND METHODS COMPRISING PROTEINASE ACTIVATED RECEPTOR ANTAGONISTS EntreMed, Inc. (US) 2007-05-02 EP disclosed
US-20060063930-A1 Compositions and methods comprising proteinase activated receptor antagonists ENTREMED, INC. 2006-03-23 US disclosed
WO-2006023844-A2 COMPOSITIONS AND METHODS COMPRISING PROTEINASE ACTIVATED RECEPTOR ANTAGONISTS ENTREMED, INC. (US) 2006-03-02 WO 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-20060063930-A1 Compositions and methods comprising proteinase activated receptor antagonists F2RL1, PLAUR, F2R CA12 2387/4885CA1 2189/4885CA9 2229/4885

“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.