SCHEMBL22168450

SCHEMBL22168450

CC[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](CO[C@H]1OC(COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)C1OCc1ccccc1)NC(=O)CCCCCCCCCNC(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SELP P16109 7/20 0.51
▸ TACR1 P25103 3/20 0.42
▸ PTPN1 P18031 7/20 0.40
▸ CDC25B P30305 6/20 0.40
▸ PTPN2 P17706 4/20 0.39
▸ PTPN6 P29350 3/20 0.39
▸ PTPN11 Q06124 3/20 0.39
▸ CDC25A P30304 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
SCHEMBL22168448 1.00 SELP (0.51) SELPTACR1PTPN1CDC25BPTPN2
SCHEMBL22168454 1.00 SELP (0.51) SELPTACR1PTPN1CDC25BPTPN2
SCHEMBL22168473 1.00 SELP (0.51) SELPTACR1PTPN1CDC25BPTPN2
SCHEMBL19400449 1.00 SELP (0.51) SELPTACR1PTPN1CDC25BPTPN2
SCHEMBL22168453 1.00 SELP (0.51) SELPTACR1PTPN1CDC25BPTPN2
SCHEMBL19400398 0.93 SELP (0.51) SELPTACR1PTPN1CDC25BPTPN2
SCHEMBL19400419 0.93 SELP (0.51) SELPTACR1PTPN1CDC25BPTPN2
SCHEMBL22168490 0.93 SELP (0.51) SELPTACR1PTPN1CDC25BPTPN2
SCHEMBL19400454 0.93 SELP (0.51) SELPTACR1PTPN1CDC25BPTPN2
SCHEMBL22168466 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 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 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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