SCHEMBL19682252

SCHEMBL19682252

[N-]=[N+]=NCCO[C@@H]1O[C@H](COCc2ccccc2)C(O[PH](=O)O)C1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.44
▸ PTPN1 P18031 9/20 0.43
▸ CDC25B P30305 8/20 0.43
▸ PTPN2 P17706 5/20 0.43
▸ PTPN11 Q06124 5/20 0.43
▸ PTPN6 P29350 4/20 0.43
▸ 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
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ LGALS3 P17931 2/20 0.39
▸ HTR1A P08908 1/20 0.39

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
SCHEMBL21258926 0.86 CD209 (0.45) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL19682250 0.85 CD209 (0.45) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL19682251 0.84 PTPN1 (0.35) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL21149838 0.82 LGALS3 (0.47) NT5EPTPN1CDC25BSSTR1SSTR2
SCHEMBL10260460 0.81 NT5E (0.44) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL31471789 0.79 SSTR1 (0.48) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL13557609 0.78 NT5E (0.42) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL29233702 0.78 LGALS3 (0.48) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL25270558 0.78 LGALS3 (0.48) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL20648775 0.78 LGALS3 (0.48) NT5EPTPN1CDC25BPTPN2PTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190247495-A1 NOVEL SYNTHETIC ANTICANCER, ANTIFUNGAL, AND ANTIBACTERIAL VACCINES WAYNE STATE UNIVERSITY 2019-08-15 — — US disclosed
US-20170348414-A1 NOVEL SYNTHETIC ANTICANCER, ANTIFUNGAL, AND ANTIBACTERIAL VACCINES WAYNE STATE UNIVERSITY (US) 2017-12-07 — — 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 (2 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-20190247495-A1 NOVEL SYNTHETIC ANTICANCER, ANTIFUNGAL, AND ANTIBACTERIAL VACCINES ERG28, DDOST, STT3A NT5E 2535/4885PTPN1 1915/4885CDC25B 364/4885
US-20170348414-A1 NOVEL SYNTHETIC ANTICANCER, ANTIFUNGAL, AND ANTIBACTERIAL VACCINES ERG28, DDOST, STT3A NT5E 2535/4885PTPN1 1915/4885CDC25B 364/4885

“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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