SCHEMBL20529995

SCHEMBL20529995

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

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 3/20 0.52
▸ KLK7 P49862 2/20 0.52
▸ KLK5 Q9Y337 2/20 0.52
▸ MAPT P10636 1/20 0.51
▸ CPB1 P15086 1/20 0.51
▸ CPB2 Q96IY4 1/20 0.51
▸ PTGER4 P35408 1/20 0.47
▸ SIRT2 Q8IXJ6 1/20 0.46
▸ SIRT1 Q96EB6 1/20 0.46

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
SCHEMBL29521785 0.95 KLK7 (0.53) FOLH1KLK7KLK5MAPT
SCHEMBL20530010 0.90 KLK7 (0.49) KLK7KLK5MAPT
SCHEMBL20529993 0.90 KLK7 (0.49) KLK7KLK5MAPT
SCHEMBL20530100 0.89 FOLH1 (0.49) FOLH1KLK7KLK5MAPTCPB1
SCHEMBL7316805 0.86 MAPT (0.64) FOLH1KLK7KLK5MAPTCPB1
SCHEMBL17039826 0.86 FOLH1 (0.60) FOLH1KLK7KLK5MAPTCPB1
SCHEMBL30727547 0.84 MAPT (0.47) FOLH1KLK7KLK5MAPT
SCHEMBL26241451 0.84 KLK7 (0.48) FOLH1KLK7KLK5MAPT
SCHEMBL29521507 0.84 KLK7 (0.48) FOLH1KLK7KLK5MAPT
SCHEMBL9051618 0.83 FOLH1 (0.62) FOLH1KLK7KLK5MAPTCPB1

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 10 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-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-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
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 (8 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-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-20230285603-A1 TRIFUNCTIONAL CONSTRUCTS WITH TUNABLE PHARMACOKINETICS USEFUL IN IMAGING AND ANTI-TUMOR THERAPIES VHL, GLS, GPER1 FOLH1 74/4885KLK7 703/4885KLK5 538/4885
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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