SCHEMBL25830860

SCHEMBL25830860

CCCCCCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(CCC)cc1)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.43
SPHK1 Q9NYA1 8/20 0.43
SPHK2 Q9NRA0 1/20 0.42
SIRT2 Q8IXJ6 9/20 0.42
SIRT1 Q96EB6 6/20 0.42
SIRT3 Q9NTG7 3/20 0.42
GRIA1 P42261 1/20 0.42
NPY1R P25929 1/20 0.42
NPY2R P49146 1/20 0.42
NPY4R P50391 1/20 0.42
NPY5R Q15761 1/20 0.42

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
SCHEMBL24829476 0.94 FURIN (0.47) CTSLSIRT2SIRT1SIRT3GRIA1
SCHEMBL21569760 0.94 FURIN (0.47) CTSLSIRT2SIRT1SIRT3GRIA1
SCHEMBL22702533 0.92 NPY5R (0.47) CTSLSIRT2SIRT1SIRT3GRIA1
SCHEMBL23355149 0.92 CTSL (0.42) CTSLSPHK1SIRT2SIRT1SIRT3
SCHEMBL22746601 0.92 MMP3 (0.43) SPHK1NPY1RNPY2RNPY4RNPY5R
SCHEMBL21754507 0.91 GRIA1 (0.44) CTSLSIRT2SIRT1SIRT3GRIA1
SCHEMBL23515087 0.91 SIRT2 (0.46) CTSLSIRT2SIRT1SIRT3GRIA1
SCHEMBL24591892 0.90 SIRT2 (0.46) CTSLSIRT2SIRT1SIRT3GRIA1
SCHEMBL27351219 0.90 FURIN (0.39) SPHK1NPY1RNPY2RNPY4RNPY5R
SCHEMBL27432486 0.90 FAP (0.46) CTSLSIRT2SIRT1NPY1RNPY2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-11701427-B2 Diels-alder conjugation methods GLUL, TGM2, GLS CTSL 3164/4885SPHK1 4036/4885SPHK2 3973/4885

“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.