SCHEMBL22168458

SCHEMBL22168458

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

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SELP P16109 6/20 0.54
▸ SSTR1 P30872 6/20 0.49
▸ SSTR2 P30874 6/20 0.49
▸ SSTR4 P31391 6/20 0.49
▸ SSTR3 P32745 6/20 0.49
▸ SSTR5 P35346 6/20 0.49
▸ PTPN1 P18031 5/20 0.42
▸ CDC25B P30305 5/20 0.42
▸ ADRB2 P07550 1/20 0.42
▸ TACR1 P25103 1/20 0.42
▸ PTPN2 P17706 2/20 0.41
▸ PTPN6 P29350 2/20 0.41
▸ PTPN11 Q06124 2/20 0.41

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
SCHEMBL22168466 0.89 SELP (0.51) SELPSSTR1SSTR2SSTR4SSTR3
SCHEMBL19400449 0.89 SELP (0.51) SELPPTPN1CDC25BTACR1PTPN2
SCHEMBL22168454 0.89 SELP (0.51) SELPPTPN1CDC25BTACR1PTPN2
SCHEMBL22168473 0.89 SELP (0.51) SELPPTPN1CDC25BTACR1PTPN2
SCHEMBL22168448 0.89 SELP (0.51) SELPPTPN1CDC25BTACR1PTPN2
SCHEMBL22168450 0.89 SELP (0.51) SELPPTPN1CDC25BTACR1PTPN2
SCHEMBL22168453 0.89 SELP (0.51) SELPPTPN1CDC25BTACR1PTPN2
SCHEMBL22168508 0.89 SELP (0.52) SELPSSTR1SSTR2SSTR4SSTR3
SCHEMBL22168487 0.88 SELP (0.52) SELPPTPN1CDC25BTACR1PTPN2
SCHEMBL22168463 0.88 SELP (0.52) 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 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 776/4885SSTR1 839/4885SSTR2 1985/4885
US-10919926-B2 Compound or salt thereof, natural killer T cell activator, and pharmaceutical composition CD4, NFATC1, PBK SELP 758/4885SSTR1 598/4885SSTR2 1221/4885

“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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