SCHEMBL29521884

SCHEMBL29521884

CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)N[C@@H](CCCCNC(=O)CCCc1ccc(I)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 5/20 0.41
▸ ALB P02768 3/20 0.41
▸ TLR1 Q15399 1/20 0.41
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CXCR3 P49682 1/20 0.39
▸ TPSAB1 Q15661 1/20 0.38
▸ MDM2 Q00987 2/20 0.37
▸ SIRT2 Q8IXJ6 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
SCHEMBL31298675 0.96 ALB (0.47) TLR2ALBMDM2
SCHEMBL20530037 0.96 ALB (0.47) TLR2ALBMDM2
SCHEMBL29521888 0.94 ALB (0.44) TLR2ALBTLR1MDM2
SCHEMBL31298693 0.94 ALB (0.48) TLR2ALBTLR1
SCHEMBL32670193 0.93 PTPN1 (0.41) TLR2TLR1CA1CA2CXCR3
SCHEMBL31298682 0.89 PTPN1 (0.41) TLR2TLR1CA1CA2
SCHEMBL21963478 0.88 MDM2 (0.42) TLR2ALBTLR1CA1CA2
SCHEMBL21963477 0.88 MDM2 (0.42) TLR2ALBTLR1CA1CA2
SCHEMBL15964057 0.88 ALB (0.46) TLR2ALBTLR1CA1CA2
SCHEMBL30895538 0.88 TLR2 (0.49) TLR2TLR1MDM2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12377175-B2 Trifunctional constructs with tunable pharmacokinetics useful in imaging and anti-tumor therapies CORNELL UNIVERSITY (US) 2025-08-05 — — US disclosed
US-12268759-B2 Trifunctional constructs with tunable pharmacokinetics useful in imaging and anti-tumor therapies CORNELL UNIVERSITY (US) 2025-04-08 — — US disclosed
US-20240050599-A1 TRIFUNCTIONAL CONSTRUCTS WITH TUNABLE PHARMACOKINETICS USEFUL IN IMAGING AND ANTI-TUMOR THERAPIES CORNELL UNIVERSITY (US) 2024-02-15 — — US disclosed
US-20230285603-A1 TRIFUNCTIONAL CONSTRUCTS WITH TUNABLE PHARMACOKINETICS USEFUL IN IMAGING AND ANTI-TUMOR THERAPIES CORNELL UNIVERSITY (US) 2023-09-14 — — US disclosed
US-20230114130-A1 TRIFUNCTIONAL CONSTRUCTS WITH TUNABLE PHARMACOKINETICS USEFUL IN IMAGING AND ANTI-TUMOR THERAPIES COMELL UNIVERSITY (US) 2023-04-13 — — US disclosed
US-11285227-B2 Trifunctional constructs with tunablepharmacokinetics useful in imaging and anti-tumor therapies CORNELL UNIVERSITY (US) 2022-03-29 — — 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 (6 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-11285227-B2 Trifunctional constructs with tunablepharmacokinetics useful in imaging and anti-tumor therapies MC2R, OGFR, GLS TLR2 4118/4885ALB 3175/4885TLR1 3839/4885
US-20230114130-A1 TRIFUNCTIONAL CONSTRUCTS WITH TUNABLE PHARMACOKINETICS USEFUL IN IMAGING AND ANTI-TUMOR THERAPIES VHL, GLS, KRAS TLR2 4003/4885ALB 2124/4885TLR1 3865/4885
US-20230285603-A1 TRIFUNCTIONAL CONSTRUCTS WITH TUNABLE PHARMACOKINETICS USEFUL IN IMAGING AND ANTI-TUMOR THERAPIES VHL, GLS, GPER1 TLR2 4148/4885ALB 2495/4885TLR1 4326/4885
US-20240050599-A1 TRIFUNCTIONAL CONSTRUCTS WITH TUNABLE PHARMACOKINETICS USEFUL IN IMAGING AND ANTI-TUMOR THERAPIES VHL, GLS, GPER1 TLR2 4148/4885ALB 2495/4885TLR1 4326/4885
US-12377175-B2 Trifunctional constructs with tunable pharmacokinetics useful in imaging and anti-tumor therapies VHL, GLS, GPER1 TLR2 4148/4885ALB 2495/4885TLR1 4326/4885
US-12268759-B2 Trifunctional constructs with tunable pharmacokinetics useful in imaging and anti-tumor therapies VHL, GLS, GPER1 TLR2 4148/4885ALB 2495/4885TLR1 4326/4885

“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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