SCHEMBL20676772

SCHEMBL20676772

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)CCCCCCCCCCCNC(=O)c1ccc(OC)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SELP P16109 7/20 0.51
▸ TACR1 P25103 2/20 0.38
▸ HDAC3 O15379 2/20 0.37
▸ HDAC1 Q13547 2/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC10 Q969S8 1/20 0.37
▸ HDAC11 Q96DB2 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC9 Q9UKV0 1/20 0.37
▸ HDAC5 Q9UQL6 1/20 0.37
▸ PTPN1 P18031 2/20 0.36
▸ CDC25B P30305 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NT5E P21589 1/20 0.36
▸ PTPN2 P17706 1/20 0.35

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
SCHEMBL20676812 1.00 SELP (0.51) SELPTACR1HDAC3HDAC1HDAC6
SCHEMBL20676803 0.95 SELP (0.53) SELPTACR1PTPN1CDC25BPTPN2
SCHEMBL20676828 0.95 SELP (0.53) SELPTACR1PTPN1CDC25BPTPN2
SCHEMBL20676801 0.95 SELP (0.53) SELPTACR1PTPN1CDC25BPTPN2
SCHEMBL20676865 0.94 SELP (0.51) SELPTACR1PTPN1CDC25BNT5E
SCHEMBL20676861 0.94 SELP (0.51) SELPTACR1HDAC3HDAC1HDAC6
SCHEMBL20676866 0.94 SELP (0.51) SELPTACR1PTPN1CDC25BNT5E
SCHEMBL20676776 0.94 SELP (0.51) SELPTACR1PTPN1CDC25BNT5E
SCHEMBL20676800 0.94 SELP (0.49) SELPTACR1PTPN1CDC25BPTPN2
SCHEMBL20676780 0.92 SELP (0.51) 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 242/4885HDAC3 1757/4885
US-10919926-B2 Compound or salt thereof, natural killer T cell activator, and pharmaceutical composition CD4, NFATC1, PBK SELP 758/4885TACR1 180/4885HDAC3 1051/4885

“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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