SCHEMBL31199142

SCHEMBL31199142

CC(C)[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 8/20 0.40
▸ HDAC11 Q96DB2 8/20 0.40
▸ HDAC6 Q9UBN7 8/20 0.40
▸ HDAC1 Q13547 7/20 0.40
▸ HDAC2 Q92769 7/20 0.40
▸ HDAC10 Q969S8 7/20 0.40
▸ HDAC8 Q9BY41 7/20 0.40
▸ NCOR2 Q9Y618 3/20 0.40
▸ CTSD P07339 1/20 0.38
▸ BACE1 P56817 1/20 0.38
▸ FOLH1 Q04609 5/20 0.38
▸ NAALAD2 Q9Y3Q0 2/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ MMP7 P09237 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ MMP12 P39900 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ RIMKLA Q8IXN7 1/20 0.38
▸ TEAD4 Q15561 1/20 0.37
▸ TEAD3 Q99594 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
SCHEMBL31199140 0.91 OPRK1 (0.41) HDAC3HDAC11HDAC6HDAC1HDAC2
SCHEMBL30844021 0.87 HDAC3 (0.47) HDAC3HDAC11HDAC6HDAC1HDAC2
SCHEMBL11173161 0.87 FOLH1 (0.46) HDAC3HDAC11HDAC6HDAC1HDAC2
SCHEMBL22319322 0.87 FOLH1 (0.46) HDAC3HDAC11HDAC6HDAC1HDAC2
SCHEMBL22319323 0.87 FOLH1 (0.46) HDAC3HDAC11HDAC6HDAC1HDAC2
SCHEMBL31199135 0.86 ACE (0.43) HDAC3HDAC11HDAC6HDAC1HDAC2
SCHEMBL31199084 0.86 NTSR2 (0.39) HDAC3HDAC11HDAC6HDAC1HDAC2
SCHEMBL31199117 0.84 NTSR2 (0.40) CTSDBACE1
SCHEMBL31199175 0.83 DDOST (0.39) HDAC3HDAC11HDAC6HDAC1HDAC2
SCHEMBL31199170 0.83 DDOST (0.39) HDAC3HDAC11HDAC6HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260000096-A1 FLAVOR COMPOSITION AND EDIBLE COMPOSITIONS CONTAINING SAME MARS, INCORPORATED (US) 2026-01-01 — — US disclosed
US-12439941-B2 Flavor composition and edible compositions containing same MARS, INCORPORATED (US) 2025-10-14 — — US disclosed
US-12285037-B2 Flavor composition and edible compositions containing same MARS, INCORPORATED (US) 2025-04-29 — — US disclosed
US-20240373884-A1 FLAVOR COMPOSITION AND EDIBLE COMPOSITIONS CONTAINING SAME MARS, INCORPORATED (US) 2024-11-14 — — 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-20260000096-A1 FLAVOR COMPOSITION AND EDIBLE COMPOSITIONS CONTAINING SAME SLC6A19, QPCTL, PTMS HDAC3 4437/4885HDAC11 4689/4885HDAC6 3834/4885

“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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