SCHEMBL765277

SCHEMBL765277

COC(=O)C1C[C@H](OS(C)(=O)=O)[C@@H](OS(C)(=O)=O)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.46
CHRNB2 P17787 2/20 0.46
CHRNA4 P43681 2/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA7 P36544 1/20 0.46
BRD4 O60885 1/20 0.38
MMP2 P08253 1/20 0.34
ANPEP P15144 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA4 P22748 2/20 0.33
CA6 P23280 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
CA13 Q8N1Q1 2/20 0.33
CA12 O43570 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL4088870 1.00 TP53 (0.46) TP53CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL10476737 1.00 TP53 (0.46) TP53CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL4088867 1.00 TP53 (0.46) TP53CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL12512946 0.85 TP53 (0.38) TP53CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL17293401 0.84 TP53 (0.46) TP53CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL21222682 0.84 TP53 (0.46) TP53CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL1498367 0.84 TP53 (0.46) TP53CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL30278790 0.79 ALDH1A1 (0.40) PKMSMN1; SMN2ALDH1A1MAPTNPSR1
SCHEMBL6564766 0.79 MAOB (0.40) TP53CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL19714838 0.76 TP53 (0.46) TP53CHRNB2CHRNA4CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2431370-A1 Monoacylated 1,2-diaminocycloalkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-03-21 EP disclosed
US-7935824-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-05-03 US disclosed
US-7935824-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-05-03 US disclosed
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-09-10 US disclosed
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-09-10 US disclosed
US-7192968-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-20 US disclosed
US-7192968-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-20 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-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES F2, ECE1, MLLT1 TP53 2267/4885CHRNB2 3918/4885CHRNA4 2024/4885

“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.