SCHEMBL25833839

SCHEMBL25833839

CC[C@H](C)[C@@H]([C@@H](CC(N)=O)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC)C(C)C)cc1)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
FOLH1 Q04609 2/20 0.40
FAP Q12884 1/20 0.40
TTR P02766 2/20 0.36
FURIN P09958 2/20 0.33
CTSB P07858 1/20 0.32
CTSK P43235 1/20 0.32
KISS1R Q969F8 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CASP1 P29466 1/20 0.32
CASP3 P42574 1/20 0.32
CASP4 P49662 1/20 0.32
CASP5 P51878 1/20 0.32
CASP9 P55211 1/20 0.32
CASP6 P55212 1/20 0.32
CASP8 Q14790 1/20 0.32
CASP10 Q92851 1/20 0.32
SIRT1 Q96EB6 5/20 0.32
SIRT2 Q8IXJ6 5/20 0.32
SIRT3 Q9NTG7 3/20 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
SCHEMBL20095233 0.94 FOLH1 (0.40) CYP3A4FOLH1FAPTTRFURIN
SCHEMBL19869062 0.94 FOLH1 (0.40) CYP3A4FOLH1FAPTTRFURIN
SCHEMBL25829056 0.93 CYP3A4 (0.40) CYP3A4FOLH1FAPTTRFURIN
SCHEMBL22241542 0.91 CYP3A4 (0.37) CYP3A4FOLH1FAPTTRL3MBTL1
SCHEMBL20095333 0.91 CYP3A4 (0.37) CYP3A4FOLH1FAPTTRL3MBTL1
SCHEMBL21444704 0.90 FOLH1 (0.38) CYP3A4FOLH1FAPTTRFURIN
SCHEMBL27352417 0.89 FOLH1 (0.40) CYP3A4FOLH1FAPTTRFURIN
SCHEMBL27349556 0.89 FOLH1 (0.40) CYP3A4FOLH1FAPTTRFURIN
SCHEMBL25857993 0.88 CYP3A4 (0.42) CYP3A4FOLH1FAPTTRL3MBTL1
SCHEMBL20385923 0.88 CYP3A4 (0.46) CYP3A4FOLH1FAPTTRFURIN

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-20240207412-A1 DIELS-ALDER CONJUGATION METHODS REGENERON PHARMACEUTICALS, INC. (US) 2024-06-27 US disclosed
US-11701427-B2 Diels-alder conjugation methods REGENERON PHARMACEUTICALS, INC. (US) 2023-07-18 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-20240207412-A1 DIELS-ALDER CONJUGATION METHODS GLUL, TGM2, GLS CYP3A4 1943/4885FOLH1 14/4885FAP 577/4885
US-11701427-B2 Diels-alder conjugation methods GLUL, TGM2, GLS CYP3A4 1943/4885FOLH1 14/4885FAP 577/4885

“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.