SCHEMBL19400332

SCHEMBL19400332

CC[C@@H](O)[C@@H](OCc1ccccc1)[C@H](CO[C@H]1OC(COCc2ccccc2)[C@H](OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1)NC(=O)CCCCCCCCCCCNC(=O)c1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SELP P16109 6/20 0.49
▸ PTPN1 P18031 9/20 0.41
▸ CDC25B P30305 9/20 0.41
▸ TACR1 P25103 2/20 0.40
▸ PTPN2 P17706 5/20 0.38
▸ PTPN6 P29350 5/20 0.38
▸ PTPN11 Q06124 5/20 0.38
▸ NT5E P21589 1/20 0.38
▸ 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
SCHEMBL22168494 0.95 SELP (0.51) SELPPTPN1CDC25BTACR1PTPN2
SCHEMBL22168477 0.93 SELP (0.49) SELPPTPN1CDC25BTACR1PTPN2
SCHEMBL22168488 0.92 SELP (0.49) SELPPTPN1CDC25BTACR1PTPN2
SCHEMBL22168479 0.92 SELP (0.48) SELPPTPN1CDC25BTACR1PTPN2
SCHEMBL19400426 0.92 SELP (0.48) SELPPTPN1CDC25BTACR1PTPN2
SCHEMBL22168492 0.90 SELP (0.54) SELPPTPN1CDC25BTACR1PTPN2
SCHEMBL20676780 0.90 SELP (0.51) SELPPTPN1CDC25BTACR1PTPN2
SCHEMBL22168465 0.89 SELP (0.47) SELPPTPN1CDC25BTACR1PTPN2
SCHEMBL19400382 0.89 SELP (0.49) SELPPTPN1CDC25BTACR1PTPN2
SCHEMBL22168466 0.89 SELP (0.51) SELPPTPN1CDC25BTACR1PTPN2

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 776/4885PTPN1 1005/4885CDC25B 4542/4885
US-10919926-B2 Compound or salt thereof, natural killer T cell activator, and pharmaceutical composition CD4, NFATC1, PBK SELP 758/4885PTPN1 1669/4885CDC25B 4278/4885

“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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