SCHEMBL20530100

SCHEMBL20530100

CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCOCCOCCOCCN=[N+]=[N-])C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 3/20 0.49
▸ KLK7 P49862 2/20 0.48
▸ KLK5 Q9Y337 2/20 0.48
▸ CPB1 P15086 1/20 0.47
▸ CPB2 Q96IY4 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ SIRT2 Q8IXJ6 1/20 0.44
▸ SIRT1 Q96EB6 1/20 0.44
▸ ITGB3 P05106 1/20 0.44
▸ ITGA2B P08514 1/20 0.44

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
SCHEMBL29521507 0.96 KLK7 (0.48) FOLH1KLK7KLK5MAPTITGB3
SCHEMBL26241451 0.96 KLK7 (0.48) FOLH1KLK7KLK5MAPTITGB3
SCHEMBL20529995 0.89 FOLH1 (0.52) FOLH1KLK7KLK5CPB1CPB2
SCHEMBL21611678 0.84 GLP1R (0.38) FOLH1
SCHEMBL21772533 0.84 GLP1R (0.38) FOLH1
SCHEMBL29521785 0.84 KLK7 (0.53) FOLH1KLK7KLK5MAPT
SCHEMBL30783468 0.83 KLK7 (0.51) FOLH1KLK7KLK5MAPTITGB3
SCHEMBL30783496 0.83 KLK7 (0.51) FOLH1KLK7KLK5MAPTITGB3
SCHEMBL27261434 0.83 CPB1 (0.53) KLK7KLK5CPB1CPB2MAPT
SCHEMBL31298691 0.83 KLK7 (0.56) FOLH1KLK7KLK5MAPTITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240050599-A1 TRIFUNCTIONAL CONSTRUCTS WITH TUNABLE PHARMACOKINETICS USEFUL IN IMAGING AND ANTI-TUMOR THERAPIES CORNELL UNIVERSITY (US) 2024-02-15 — — 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-20220177461-A1 MACROCYCLIC COMPLEXES OF ALPHA-EMITTING RADIONUCLIDES AND THEIR USE IN TARGETED RADIOTHERAPY OF CANCER CORNELL UNIVERSITY (US) 2022-06-09 — — US disclosed
US-20220016277-A1 MACROCYCLIC COMPLEXES OF RADIONUCLIDES AND THEIR USE IN RADIOTHERAPY OF CANCER CORNELL UNIVERSITY (US) 2022-01-20 — — US disclosed
EP-3883610-A1 MACROCYCLIC COMPLEXES OF RADIONUCLIDES AND THEIR USE IN RADIOTHERAPY OF CANCER Cornell University (US) 2021-09-29 — — EP disclosed
US-20210128757-A1 TRIFUNCTIONAL CONSTRUCTS WITH TUNABLEPHARMACOKINETICS USEFUL IN IMAGING AND ANTI-TUMOR THERAPIES CORNELL UNIVERSITY (US) 2021-05-06 — — US disclosed
US-20210121584-A1 TRIFUNCTIONAL CONSTRUCTS WITH TUNABLE PHARMACOKINETICS USEFUL IN IMAGING AND ANTI-TUMOR THERAPIES CORNELL UNIVERSITY (US) 2021-04-29 — — US disclosed
US-20200405888-A1 TRIFUNCTIONAL CONSTRUCTS WITH TUNABLE PHARMACOKINETICS USEFUL IN IMAGING AND ANTI-TUMOR THERAPIES CORNELL UNIVERSITY (US) 2020-12-31 — — US disclosed
US-10806806-B2 Trifunctional constructs with tunable pharmacokinetics useful in imaging and anti-tumor therapies CORNELL UNIVERSITY (US) 2020-10-20 — — US disclosed
US-20200157087-A1 MACROCYCLIC COMPLEXES OF ALPHA-EMITTING RADIONUCLIDES AND THEIR USE IN TARGETED RADIOTHERAPY OF CANCER CORNELL UNIVERSITY (US) 2020-05-21 — — US disclosed
EP-3609541-A1 TRIFUNCTIONAL CONSTRUCTS WITH TUNABLE PHARMACOKINETICS USEFUL IN IMAGING AND ANTI-TUMOR THERAPIES Cornell University (US) 2020-02-19 — — EP disclosed
US-20190015531-A1 TRIFUNCTIONAL CONSTRUCTS WITH TUNABLE PHARMACOKINETICS USEFUL IN IMAGING AND ANTI-TUMOR THERAPIES CORNELL UNIVERSITY 2019-01-17 — — US disclosed
WO-2018187631-A1 TRIFUNCTIONAL CONSTRUCTS WITH TUNABLE PHARMACOKINETICS USEFUL IN IMAGING AND ANTI-TUMOR THERAPIES CORNELL UNIVERSITY (US) 2018-10-11 — — 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 (10 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-20210121584-A1 TRIFUNCTIONAL CONSTRUCTS WITH TUNABLE PHARMACOKINETICS USEFUL IN IMAGING AND ANTI-TUMOR THERAPIES VHL, GLS, GPER1 FOLH1 74/4885KLK7 703/4885KLK5 538/4885
US-20210128757-A1 TRIFUNCTIONAL CONSTRUCTS WITH TUNABLEPHARMACOKINETICS USEFUL IN IMAGING AND ANTI-TUMOR THERAPIES MC2R, OGFR, GLS FOLH1 111/4885KLK7 855/4885KLK5 551/4885
US-20200157087-A1 MACROCYCLIC COMPLEXES OF ALPHA-EMITTING RADIONUCLIDES AND THEIR USE IN TARGETED RADIOTHERAPY OF CANCER PSMA1, FOLH1, KLK3 FOLH1 2/4885KLK7 339/4885KLK5 931/4885
US-20220016277-A1 MACROCYCLIC COMPLEXES OF RADIONUCLIDES AND THEIR USE IN RADIOTHERAPY OF CANCER PSMA1, KLK3, FOLH1 FOLH1 3/4885KLK7 231/4885KLK5 538/4885
US-20220177461-A1 MACROCYCLIC COMPLEXES OF ALPHA-EMITTING RADIONUCLIDES AND THEIR USE IN TARGETED RADIOTHERAPY OF CANCER PSMA1, FOLH1, KLK3 FOLH1 2/4885KLK7 339/4885KLK5 931/4885
US-20230114130-A1 TRIFUNCTIONAL CONSTRUCTS WITH TUNABLE PHARMACOKINETICS USEFUL IN IMAGING AND ANTI-TUMOR THERAPIES VHL, GLS, KRAS FOLH1 69/4885KLK7 761/4885KLK5 545/4885
US-20240050599-A1 TRIFUNCTIONAL CONSTRUCTS WITH TUNABLE PHARMACOKINETICS USEFUL IN IMAGING AND ANTI-TUMOR THERAPIES VHL, GLS, GPER1 FOLH1 74/4885KLK7 703/4885KLK5 538/4885
US-20200405888-A1 TRIFUNCTIONAL CONSTRUCTS WITH TUNABLE PHARMACOKINETICS USEFUL IN IMAGING AND ANTI-TUMOR THERAPIES VHL, GLS, GPER1 FOLH1 74/4885KLK7 703/4885KLK5 538/4885
US-10806806-B2 Trifunctional constructs with tunable pharmacokinetics useful in imaging and anti-tumor therapies VHL, GLS, GPER1 FOLH1 74/4885KLK7 703/4885KLK5 538/4885
US-20190015531-A1 TRIFUNCTIONAL CONSTRUCTS WITH TUNABLE PHARMACOKINETICS USEFUL IN IMAGING AND ANTI-TUMOR THERAPIES VHL, GLS, GPER1 FOLH1 74/4885KLK7 703/4885KLK5 538/4885

“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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