SCHEMBL14416243

SCHEMBL14416243

CC(=O)OC1C(OC(C)=O)[C@@H](OCc2ccccc2)C(COCc2ccccc2)O[C@@H]1O[C@@H]1C(OCc2ccccc2)[C@@H](OCC2O[C@H](C)C(OCc3ccccc3)[C@@H](O[C@H]3OC(COCc4ccccc4)[C@H](OCc4ccccc4)C(OC(C)=O)C3O[C@H]3OC(COCc4ccccc4)[C@H](OCc4ccccc4)C(OC(C)=O)C3O[C@H]3OC(COCc4ccccc4)[C@H](OCc4ccccc4)C(OC(C)=O)C3OC(C)=O)[C@@H]2OCc2ccccc2)OC(CO[C@H]2OC(CO[C@H]3OC(COCc4ccccc4)[C@@H](OCc4ccccc4)[C@H](OC(C)=O)C3OCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](O)C2OCc2ccccc2)[C@H]1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GJB2 P29033 3/20 0.47
▸ NT5E P21589 1/20 0.45
▸ PTPN1 P18031 7/20 0.43
▸ CDC25B P30305 5/20 0.43
▸ PTPN2 P17706 3/20 0.43
▸ PTPN11 Q06124 3/20 0.43
▸ PTPN6 P29350 2/20 0.42
▸ FGF1 P05230 2/20 0.42
▸ FGF2 P09038 2/20 0.42
▸ VEGFA P15692 2/20 0.42
▸ HPSE Q9Y251 2/20 0.42
▸ GJA1 P17302 2/20 0.41
▸ TACR2 P21452 1/20 0.41
▸ SSTR1 P30872 1/20 0.41
▸ SSTR2 P30874 1/20 0.41
▸ SSTR4 P31391 1/20 0.41
▸ SSTR3 P32745 1/20 0.41
▸ SSTR5 P35346 1/20 0.41

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
SCHEMBL14416246 0.96 NT5E (0.49) GJB2NT5EPTPN1CDC25BPTPN2
SCHEMBL14413407 0.95 NT5E (0.48) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL14413406 0.95 NT5E (0.47) GJB2NT5EPTPN1CDC25BPTPN2
SCHEMBL14416240 0.89 NT5E (0.47) GJB2NT5EPTPN1CDC25BPTPN2
SCHEMBL14413429 0.89 NT5E (0.47) GJB2NT5EPTPN1CDC25BPTPN2
SCHEMBL14416242 0.88 NT5E (0.51) GJB2NT5EPTPN1CDC25BPTPN2
SCHEMBL14413403 0.88 NT5E (0.51) GJB2NT5EPTPN1CDC25BPTPN2
SCHEMBL13129822 0.86 NT5E (0.52) GJB2NT5EPTPN1CDC25BPTPN2
SCHEMBL13129931 0.86 NT5E (0.47) GJB2NT5EPTPN1CDC25BPTPN2
SCHEMBL14413419 0.85 NT5E (0.47) GJB2NT5EPTPN1CDC25BPTPN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070213278-A1 Arrays with cleavable linkers SCRIPPS RESEARCH INSTITUTE, THE 2007-09-13 — — 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-20070213278-A1 Arrays with cleavable linkers ENGASE, ADAM33, SIGLEC7 GJB2 2662/4885NT5E 295/4885PTPN1 3515/4885

“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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