SCHEMBL30543724

SCHEMBL30543724

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nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 1/20 0.44
▸ SIRT5 Q9NXA8 1/20 0.44
▸ VIPR1 P32241 3/20 0.43
▸ VIPR2 P41587 5/20 0.41
▸ OPRL1 P41146 2/20 0.41
▸ IL23R Q5VWK5 1/20 0.40
▸ BACE1 P56817 3/20 0.39
▸ EPHA2 P29317 1/20 0.39
▸ GLP1R P43220 2/20 0.39
▸ GCGR P47871 1/20 0.39
▸ GIPR P48546 1/20 0.39
▸ ECE1 P42892 1/20 0.39
▸ MUS81 Q96NY9 1/20 0.39
▸ BACE2 Q9Y5Z0 1/20 0.38

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
SCHEMBL31506981 0.92 FNTA (0.42) SIRT2SIRT5IL23R
SCHEMBL24451291 0.91 SIRT2 (0.44) SIRT2SIRT5VIPR1VIPR2OPRL1
SCHEMBL29658771 0.91 SIRT2 (0.44) SIRT2SIRT5VIPR1VIPR2OPRL1
SCHEMBL31013467 0.89 SIRT2 (0.43) SIRT2SIRT5VIPR1VIPR2OPRL1
SCHEMBL31013475 0.89 SIRT2 (0.43) SIRT2SIRT5VIPR1VIPR2OPRL1
SCHEMBL29883866 0.87 SIRT2 (0.44) SIRT2SIRT5OPRL1
SCHEMBL31313312 0.87 SIRT2 (0.47) SIRT2SIRT5VIPR1BACE1
SCHEMBL31031508 0.85 NPY4R (0.40) SIRT2SIRT5VIPR1BACE1
SCHEMBL31031511 0.85 SIRT2 (0.43) SIRT2SIRT5VIPR1OPRL1
SCHEMBL31031478 0.84 BACE1 (0.44) SIRT2SIRT5VIPR1OPRL1BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12599684-B2 Molecular probes and methods of use CASE WESTERN RESERVE UNIVERSITY (US) 2026-04-14 — — US disclosed
US-20240156995-A1 MOLECULAR PROBES AND METHODS OF USE UNIV CASE WESTERN RESERVE (US) 2024-05-16 — — US disclosed
US-11738099-B2 Molecular probes and methods of use CASE WESTERN RESERVE UNIVERSITY (US) 2023-08-29 — — 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 (3 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-20240156995-A1 MOLECULAR PROBES AND METHODS OF USE EDNRB, FGB, FN1 SIRT2 4463/4885SIRT5 4037/4885VIPR1 798/4885
US-11738099-B2 Molecular probes and methods of use DDX21, FUS, DDIT3 SIRT2 4686/4885SIRT5 4487/4885VIPR1 443/4885
US-12599684-B2 Molecular probes and methods of use TFRC, FGB, SSTR3 SIRT2 3963/4885SIRT5 2890/4885VIPR1 995/4885

“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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