SCHEMBL22168488

SCHEMBL22168488

CC[C@@H](O)[C@@H](OCc1ccccc1)[C@H](CO[C@H]1OC(COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)C1OCc1ccccc1)NC(=O)CCCCCCCCNC(=O)c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SELP P16109 6/20 0.49
▸ TACR1 P25103 2/20 0.44
▸ PTPN1 P18031 6/20 0.39
▸ CDC25B P30305 6/20 0.39
▸ NT5E P21589 1/20 0.39
▸ PTPN2 P17706 2/20 0.37
▸ PTPN6 P29350 2/20 0.37
▸ PTPN11 Q06124 2/20 0.37
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC10 Q969S8 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ HDAC9 Q9UKV0 1/20 0.36
▸ HDAC5 Q9UQL6 1/20 0.36
▸ TP53 P04637 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
SCHEMBL22168494 0.95 SELP (0.51) SELPTACR1PTPN1CDC25BNT5E
SCHEMBL22168491 0.94 SELP (0.49) SELPTACR1PTPN1CDC25BNT5E
SCHEMBL22168477 0.94 SELP (0.49) SELPTACR1PTPN1CDC25BNT5E
SCHEMBL22168465 0.93 SELP (0.47) SELPTACR1PTPN1CDC25BNT5E
SCHEMBL22168479 0.93 SELP (0.48) SELPTACR1PTPN1CDC25BNT5E
SCHEMBL19400426 0.93 SELP (0.48) SELPTACR1PTPN1CDC25BNT5E
SCHEMBL19400332 0.92 SELP (0.49) SELPTACR1PTPN1CDC25BNT5E
SCHEMBL19400382 0.92 SELP (0.49) SELPTACR1PTPN1CDC25BPTPN2
SCHEMBL20676776 0.91 SELP (0.51) SELPTACR1PTPN1CDC25BNT5E
SCHEMBL20676865 0.91 SELP (0.51) SELPTACR1PTPN1CDC25BNT5E

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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