SCHEMBL26319897

SCHEMBL26319897

CC(C)[C@@H](NC(=O)CCCCCNC(=O)CBr)C(=O)N[C@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)C(C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 9/20 0.40
▸ SIRT1 Q96EB6 7/20 0.40
▸ SIRT3 Q9NTG7 3/20 0.40
▸ SIRT5 Q9NXA8 1/20 0.39
▸ NPY4R P50391 4/20 0.38
▸ NPY1R P25929 3/20 0.38
▸ NPY2R P49146 3/20 0.38
▸ NPY5R Q15761 3/20 0.38
▸ FAP Q12884 1/20 0.38
▸ FURIN P09958 2/20 0.38
▸ ROCK2 O75116 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
SCHEMBL25009841 0.98 SIRT2 (0.42) SIRT2SIRT1SIRT3SIRT5FURIN
SCHEMBL23330252 0.93 SIRT2 (0.40) SIRT2SIRT1SIRT3SIRT5NPY4R
SCHEMBL23106472 0.93 SIRT2 (0.40) SIRT2SIRT1SIRT3SIRT5NPY4R
SCHEMBL22138818 0.92 SIRT2 (0.41) SIRT2SIRT1SIRT3SIRT5NPY4R
SCHEMBL20841069 0.92 SIRT2 (0.41) SIRT2SIRT1SIRT3SIRT5NPY4R
SCHEMBL18911016 0.92 SIRT2 (0.41) SIRT2SIRT1SIRT3SIRT5NPY4R
SCHEMBL18823292 0.92 SIRT2 (0.41) SIRT2SIRT1SIRT3SIRT5NPY4R
SCHEMBL18823291 0.92 SIRT2 (0.41) SIRT2SIRT1SIRT3SIRT5NPY4R
SCHEMBL19647265 0.92 SIRT2 (0.42) SIRT2SIRT1SIRT3SIRT5NPY4R
SCHEMBL27432790 0.92 SIRT2 (0.40) SIRT2SIRT1SIRT3SIRT5NPY4R

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-20230295322-A1 BINDING MOLECULES AGAINST BCMA AND USES THEREOF NOVARTIS AG (CH) 2023-09-21 — — US disclosed
US-20230128499-A1 BISPECIFIC COMBINATION THERAPY FOR TREATING PROLIFERATIVE DISEASES AND AUTOIMMUNE DISEASES NOVARTIS AG (CH) 2023-04-27 — — 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-20230128499-A1 BISPECIFIC COMBINATION THERAPY FOR TREATING PROLIFERATIVE DISEASES AND AUTOIMMUNE DISEASES CD2, CD22, CD2BP2 SIRT2 4783/4885SIRT1 4798/4885SIRT3 4839/4885
US-20230295322-A1 BINDING MOLECULES AGAINST BCMA AND USES THEREOF EPCAM, CD40, BCR SIRT2 4861/4885SIRT1 4855/4885SIRT3 4867/4885

“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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