SCHEMBL22168482

SCHEMBL22168482

CC[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](CO[C@H]1OC(COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)C1OCc1ccccc1)N=[N+]=[N-]

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 10/20 0.42
▸ CDC25B P30305 8/20 0.42
▸ SSTR1 P30872 1/20 0.42
▸ SSTR2 P30874 1/20 0.42
▸ SSTR4 P31391 1/20 0.42
▸ SSTR3 P32745 1/20 0.42
▸ SSTR5 P35346 1/20 0.42
▸ PTPN2 P17706 6/20 0.41
▸ PTPN11 Q06124 5/20 0.41
▸ PTPN6 P29350 4/20 0.41
▸ NT5E P21589 1/20 0.39
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ HTR1A P08908 1/20 0.37
▸ GJB2 P29033 1/20 0.37

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
SCHEMBL17826458 0.91 NT5E (0.36) PTPN1CDC25BSSTR1SSTR2SSTR4
SCHEMBL29827837 0.90 SSTR1 (0.42) PTPN1CDC25BSSTR1SSTR2SSTR4
SCHEMBL27066281 0.87 PTPN1 (0.44) PTPN1CDC25BSSTR1SSTR2SSTR4
SCHEMBL16229296 0.87 SSTR1 (0.40) PTPN1CDC25BSSTR1SSTR2SSTR4
SCHEMBL13925621 0.85 SSTR1 (0.40) PTPN1CDC25BSSTR1SSTR2SSTR4
SCHEMBL27064271 0.84 SSTR1 (0.47) PTPN1CDC25BSSTR1SSTR2SSTR4
SCHEMBL22168445 0.84 SSTR1 (0.47) PTPN1CDC25BSSTR1SSTR2SSTR4
SCHEMBL29827728 0.81 SELP (0.41) PTPN1CDC25BSSTR1SSTR2SSTR4
SCHEMBL22168474 0.80 PTPN1 (0.49) PTPN1CDC25BSSTR1SSTR2SSTR4
SCHEMBL27064276 0.79 SSTR1 (0.42) PTPN1CDC25BSSTR1SSTR2SSTR4

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-10919926-B2 Compound or salt thereof, natural killer T cell activator, and pharmaceutical composition KEIO UNIVERSITY (JP) 2021-02-16 — — US disclosed
US-20200207798-A1 COMPOUND OR SALT THEREOF, NATURAL KILLER T CELL ACTIVATOR, AND PHARMACEUTICAL COMPOSITION KEIO UNIVERSITY (JP) 2020-07-02 — — 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-20200207798-A1 COMPOUND OR SALT THEREOF, NATURAL KILLER T CELL ACTIVATOR, AND PHARMACEUTICAL COMPOSITION CD4, NFATC1, PBK PTPN1 1005/4885CDC25B 4542/4885SSTR1 839/4885
US-10919926-B2 Compound or salt thereof, natural killer T cell activator, and pharmaceutical composition CD4, NFATC1, PBK PTPN1 1669/4885CDC25B 4278/4885SSTR1 598/4885

“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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