SCHEMBL19400355

SCHEMBL19400355

CC[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](CO[C@H]1OC(COCc2ccccc2)[C@H](OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1)NC(=O)CCCCCCCCCCCNC(=O)c1cccc(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SELP P16109 7/20 0.47
▸ TACR1 P25103 2/20 0.38
▸ SIGMAR1 Q99720 1/20 0.37
▸ PTPN1 P18031 7/20 0.37
▸ PTPN2 P17706 4/20 0.37
▸ CCR3 P51677 1/20 0.37
▸ CDC25B P30305 5/20 0.37
▸ PTPN6 P29350 2/20 0.37
▸ PTPN11 Q06124 2/20 0.37
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36

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
SCHEMBL20676800 0.94 SELP (0.49) SELPTACR1SIGMAR1PTPN1PTPN2
SCHEMBL22168466 0.93 SELP (0.51) SELPTACR1PTPN1PTPN2CDC25B
SCHEMBL22168491 0.89 SELP (0.49) SELPTACR1PTPN1PTPN2CDC25B
SCHEMBL22168476 0.87 SELP (0.46) SELPTACR1PTPN1PTPN2CDC25B
SCHEMBL20676812 0.87 SELP (0.51) SELPTACR1PTPN1PTPN2CDC25B
SCHEMBL20676772 0.87 SELP (0.51) SELPTACR1PTPN1PTPN2CDC25B
SCHEMBL22168479 0.87 SELP (0.48) SELPTACR1PTPN1PTPN2CDC25B
SCHEMBL19400426 0.87 SELP (0.48) SELPTACR1PTPN1PTPN2CDC25B
SCHEMBL20676803 0.87 SELP (0.53) SELPTACR1PTPN1PTPN2CDC25B
SCHEMBL22168450 0.87 SELP (0.51) SELPTACR1PTPN1PTPN2CDC25B

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
WO-2017163808-A1 COMPOUND OR SALT THEREOF, NATURAL KILLER T CELL ACTIVATOR, AND PHARMACEUTICAL COMPOSITION 学校法人慶應義塾 2017-09-28 — — WO 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 242/4885SIGMAR1 1586/4885
US-10919926-B2 Compound or salt thereof, natural killer T cell activator, and pharmaceutical composition CD4, NFATC1, PBK SELP 758/4885TACR1 180/4885SIGMAR1 1798/4885

“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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