SCHEMBL11896715

SCHEMBL11896715

Nc1ccnc(OCc2ccc(CNC(=O)CCCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)cc2)n1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 8/20 0.59
CA1 P00915 8/20 0.59
CA2 P00918 8/20 0.59
CA9 Q16790 8/20 0.59
TDP1 Q9NUW8 1/20 0.53
ITGB1 P05556 1/20 0.50
ITGA4 P13612 1/20 0.50
PLCD1 P51178 1/20 0.48
SLC6A3 Q01959 1/20 0.47
PKM P14618 1/20 0.47
SENP1 Q9P0U3 1/20 0.46
RNF168 Q8IYW5 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
SCHEMBL11896832 0.92 CA12 (0.55) CA12CA1CA2CA9TDP1
SCHEMBL10025883 0.88 CA12 (0.59) CA12CA1CA2CA9TDP1
SCHEMBL10025884 0.84 CA12 (0.58) CA12CA1CA2CA9TDP1
SCHEMBL10025880 0.83 CA12 (0.56) CA12CA1CA2CA9TDP1
SCHEMBL14308477 0.82 CA12 (0.72) CA12CA1CA2CA9TDP1
SCHEMBL11896724 0.82 CA12 (0.38) CA12CA1CA2CA9TDP1
SCHEMBL6372736 0.79 CA12 (0.79) CA12CA1CA2CA9TDP1
SCHEMBL18779801 0.77 TDP1 (0.78) CA12CA1CA2CA9TDP1
SCHEMBL19257249 0.76 CA12 (0.74) CA12CA1CA2CA9TDP1
SCHEMBL16274451 0.76 CA12 (0.74) CA12CA1CA2CA9TDP1

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 10 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-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-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-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-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
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.