SCHEMBL11896832

SCHEMBL11896832

Nc1ccnc(OCc2ccc(CNC(=O)CCOCCOCCOCCOCCNC(=O)CCCCC3SCC4NC(=O)NC43)cc2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.55
CA1 P00915 3/20 0.55
CA2 P00918 3/20 0.55
CA9 Q16790 3/20 0.55
PKM P14618 2/20 0.54
FOLH1 Q04609 6/20 0.51
PRSS1 P07477 2/20 0.50
PRSS2 P07478 2/20 0.50
PRSS3 P35030 2/20 0.50
TPSAB1 Q15661 2/20 0.50
F2 P00734 1/20 0.50
HSP90AB1 P08238 1/20 0.49
GBA1 P04062 1/20 0.49
PLG P00747 1/20 0.47
CSNK2A2 P19784 1/20 0.47
CSNK2B P67870 1/20 0.47
CSNK2A1 P68400 1/20 0.47
CAMK2B Q13554 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
KDM1A O60341 1/20 0.46

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
SCHEMBL11896715 0.92 CA12 (0.59) CA12CA1CA2CA9PKM
SCHEMBL13557760 0.84 CA12 (0.65) CA12CA1CA2CA9PKM
SCHEMBL10025883 0.81 CA12 (0.59) CA12CA1CA2CA9TDP1
SCHEMBL31019320 0.80 GBA1 (0.58) CA12CA1CA2CA9PKM
SCHEMBL19326757 0.80 CA12 (0.69) CA12CA1CA2CA9PKM
SCHEMBL19326750 0.79 CA12 (0.67) CA12CA1CA2CA9PKM
SCHEMBL18400069 0.79 CA12 (0.60) CA12CA1CA2CA9PKM
SCHEMBL26666656 0.79 CA12 (0.56) CA12CA1CA2CA9PKM
SCHEMBL26666650 0.79 CA12 (0.56) CA12CA1CA2CA9PKM
SCHEMBL17432063 0.78 PKM (0.56) CA12CA1CA2CA9PKM

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-8623627-B2 Labelling of fusion proteins with synthetic probes NEW ENGLAND BIOLABS, INC (US) 2014-01-07 US disclosed
US-20130130291-A1 Labelling of Fusion Proteins with Synthetic Probes ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (CH) 2013-05-23 US disclosed
US-20120237961-A1 Labelling of Fusion Proteins with Synthetic Probes GAUTIER ARNAUD (CH) 2012-09-20 US disclosed
US-8227602-B2 Labelling of fusion proteins with synthetic probes ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (CH) 2012-07-24 US disclosed
US-20110207157-A1 Labelling of Fusion Proteins With Synthetic Probes ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (CH) 2011-08-25 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-20110207157-A1 Labelling of Fusion Proteins With Synthetic Probes GART, ALKBH2, ATIC CA12 3858/4885CA1 4372/4885CA2 2674/4885

“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.