SCHEMBL22168503

SCHEMBL22168503

CC[C@@H](O)[C@@H](OCc1ccccc1)[C@H](CO[C@H]1OC(COCc2ccccc2)[C@H](OCc2ccccc2)C(OCc2ccccc2)CC1OCc1ccccc1)NC(=O)CCCCCCCCCCCNC(=O)c1cccc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SELP P16109 7/20 0.43
▸ TP53 P04637 2/20 0.34
▸ MDM2 Q00987 2/20 0.34
▸ MDM4 O15151 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ HSP90AB1 P08238 1/20 0.34
▸ TACR1 P25103 3/20 0.34
▸ NAMPT P43490 1/20 0.32
▸ CCR5 P51681 1/20 0.32
▸ NT5E P21589 1/20 0.32
▸ BACE1 P56817 3/20 0.32
▸ BACE2 Q9Y5Z0 3/20 0.32
▸ HDAC3 O15379 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ DRD1 P21728 1/20 0.32
▸ DRD4 P21917 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ DRD3 P35462 1/20 0.32

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
SCHEMBL22168506 0.93 SELP (0.42) SELPNAMPTBACE1HDAC3DRD2
SCHEMBL22168465 0.92 SELP (0.47) SELPTP53MDM2MDM4HSP90AA1
SCHEMBL22168475 0.89 SELP (0.43) SELPTACR1NT5EHDAC3
SCHEMBL22168494 0.86 SELP (0.51) SELPTACR1NT5E
SCHEMBL22168488 0.85 SELP (0.49) SELPTP53MDM2TACR1NT5E
SCHEMBL20676761 0.83 SELP (0.49) SELPTP53MDM2MDM4HSP90AA1
SCHEMBL22168477 0.82 SELP (0.49) SELPTACR1NT5EHDAC3
SCHEMBL19400382 0.82 SELP (0.49) SELPTACR1
SCHEMBL19400332 0.82 SELP (0.49) SELPTACR1NT5E
SCHEMBL22168479 0.81 SELP (0.48) SELPTACR1NT5EHDAC3

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 776/4885TP53 1445/4885MDM2 4752/4885
US-10919926-B2 Compound or salt thereof, natural killer T cell activator, and pharmaceutical composition CD4, NFATC1, PBK SELP 758/4885TP53 1605/4885MDM2 4779/4885

“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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