SCHEMBL20676801

SCHEMBL20676801

CCCCCCCCCCCCCC[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](CO[C@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)NC(=O)CCCCCCCCNC(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SELP P16109 7/20 0.53
▸ TACR1 P25103 3/20 0.40
▸ PTPN1 P18031 5/20 0.38
▸ CDC25B P30305 5/20 0.38
▸ PTPN2 P17706 2/20 0.37
▸ PTPN6 P29350 2/20 0.37
▸ PTPN11 Q06124 2/20 0.37
▸ SIRT2 Q8IXJ6 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
SCHEMBL20676828 1.00 SELP (0.53) SELPTACR1PTPN1CDC25BPTPN2
SCHEMBL20676803 1.00 SELP (0.53) SELPTACR1PTPN1CDC25BPTPN2
SCHEMBL20676866 0.96 SELP (0.51) SELPTACR1PTPN1CDC25BPTPN2
SCHEMBL20676865 0.96 SELP (0.51) SELPTACR1PTPN1CDC25BPTPN2
SCHEMBL20676776 0.96 SELP (0.51) SELPTACR1PTPN1CDC25BPTPN2
SCHEMBL20676861 0.96 SELP (0.51) SELPTACR1PTPN1CDC25BSIRT2
SCHEMBL20676780 0.96 SELP (0.51) SELPTACR1PTPN1CDC25BPTPN2
SCHEMBL20676812 0.95 SELP (0.51) SELPTACR1PTPN1CDC25BPTPN2
SCHEMBL20676772 0.95 SELP (0.51) SELPTACR1PTPN1CDC25BPTPN2
SCHEMBL20676869 0.94 SELP (0.55) SELPTACR1PTPN1CDC25BPTPN2

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 3 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
EP-3434684-A1 COMPOUND OR SALT THEREOF, NATURAL KILLER T CELL ACTIVATOR, AND PHARMACEUTICAL COMPOSITION Keio University (JP) 2019-01-30 — — EP 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 SELP 776/4885TACR1 242/4885PTPN1 1005/4885
US-10919926-B2 Compound or salt thereof, natural killer T cell activator, and pharmaceutical composition CD4, NFATC1, PBK SELP 758/4885TACR1 180/4885PTPN1 1669/4885

“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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