SCHEMBL19682251

SCHEMBL19682251

[N-]=[N+]=NCCO[C@@H]1O[C@H](COCc2ccccc2)C(OP(=O)(O)OCC(OCc2ccccc2)C(OCc2ccccc2)C(CO[C@@H]2O[C@H](COCc3ccccc3)C(O[PH](=O)O)C2OCc2ccccc2)OCc2ccccc2)C1OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 8/20 0.35
▸ CDC25B P30305 8/20 0.35
▸ PTPN2 P17706 4/20 0.35
▸ PTPN6 P29350 4/20 0.35
▸ PTPN11 Q06124 4/20 0.35
▸ NT5E P21589 1/20 0.34
▸ LGALS3 P17931 2/20 0.34
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ SELP P16109 1/20 0.32
▸ PDPK1 O15530 1/20 0.32
▸ SSTR1 P30872 1/20 0.32
▸ SSTR2 P30874 1/20 0.32
▸ SSTR4 P31391 1/20 0.32
▸ SSTR3 P32745 1/20 0.32
▸ SSTR5 P35346 1/20 0.32

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
SCHEMBL21258947 0.88 PTPN1 (0.31) PTPN1CDC25BPTPN2PTPN6PTPN11
SCHEMBL19682252 0.84 NT5E (0.44) PTPN1CDC25BPTPN2PTPN6PTPN11
SCHEMBL6386824 0.77 PDPK1 (0.41) PTPN1CDC25BPTPN2PTPN6PTPN11
SCHEMBL21016941 0.77 SSTR1 (0.39) PTPN1CDC25BPTPN2PTPN6PTPN11
SCHEMBL21258926 0.76 CD209 (0.45) PTPN1CDC25BPTPN2PTPN6PTPN11
SCHEMBL19828817 0.74 GJB2 (0.36) PTPN1CDC25BPTPN2PTPN6PTPN11
SCHEMBL19682250 0.73 CD209 (0.45) PTPN1CDC25BPTPN2PTPN6PTPN11
SCHEMBL19682264 0.72 SSTR1 (0.42) PTPN1CDC25BNT5ESELPSSTR1
SCHEMBL19828841 0.72 NT5E (0.33) PTPN1CDC25BPTPN2PTPN6PTPN11
SCHEMBL19828324 0.72 PTPN1 (0.41) PTPN1CDC25BPTPN2PTPN6PTPN11

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 PTPN1 1915/4885CDC25B 364/4885PTPN2 1924/4885
US-20170348414-A1 NOVEL SYNTHETIC ANTICANCER, ANTIFUNGAL, AND ANTIBACTERIAL VACCINES ERG28, DDOST, STT3A PTPN1 1915/4885CDC25B 364/4885PTPN2 1924/4885

“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.

Send feedback