SCHEMBL20166296

SCHEMBL20166296

CC(C)(C)OC(=O)N[C@H](CCCCN1CCCCC1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC6 Q9UBN7 1/20 0.46
ITGB3 P05106 9/20 0.45
ITGA2B P08514 9/20 0.45
CTSK P43235 6/20 0.45
CTSS P25774 3/20 0.43
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41

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
SCHEMBL27586355 1.00 HDAC4 (0.46) HDAC4HDAC1HDAC6ITGB3ITGA2B
SCHEMBL21571117 1.00 HDAC4 (0.46) HDAC4HDAC1HDAC6ITGB3ITGA2B
SCHEMBL267944 0.96 CTSK (0.46) HDAC4HDAC1HDAC6ITGB3ITGA2B
SCHEMBL21994806 0.95 CTSK (0.47) HDAC4HDAC1HDAC6ITGB3ITGA2B
SCHEMBL21994809 0.95 CTSK (0.47) HDAC4HDAC1HDAC6ITGB3ITGA2B
SCHEMBL21409067 0.91 CTSK (0.44) HDAC4HDAC1HDAC6ITGB3ITGA2B
SCHEMBL21409064 0.91 CTSK (0.44) HDAC4HDAC1HDAC6ITGB3ITGA2B
SCHEMBL20179503 0.89 ITGB3 (0.48) HDAC4HDAC1HDAC6ITGB3ITGA2B
SCHEMBL28937294 0.89 ITGB3 (0.48) HDAC4HDAC1HDAC6ITGB3ITGA2B
SCHEMBL31407357 0.88 CTSK (0.43) HDAC4HDAC1HDAC6ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3541375-B1 FACTOR XIIA INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-08-23 EP disclosed
EP-3541375-B1 FACTOR XIIA INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-08-23 EP disclosed
US-20220298138-A1 ENZYME INHIBITORS SYGNATURE DISCOVERY LIMITED (GB) 2022-09-22 US disclosed
EP-4017586-A1 ENZYME INHIBITORS Kalvista Pharmaceuticals Limited (GB) 2022-06-29 EP disclosed
CN-114269431-A Enzyme inhibitors 卡尔维斯塔制药有限公司 2022-04-01 CN disclosed
WO-2021032933-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-25 WO disclosed
WO-2021032933-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-25 WO disclosed
US-10875851-B2 Factor XIIa inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-29 US disclosed
US-10875851-B2 Factor XIIa inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-29 US disclosed
US-20190352294-A1 Factor XIIa Inhibitors MERCK SHARP & DOHME CORP. (US) 2019-11-21 US disclosed
US-20190352294-A1 Factor XIIa Inhibitors MERCK SHARP & DOHME CORP. (US) 2019-11-21 US disclosed
EP-3541375-A1 FACTOR XIIa INHIBITORS Merck Sharp & Dohme Corp. (US) 2019-09-25 EP disclosed
WO-2018093695-A1 FACTOR XIIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-05-24 WO disclosed
WO-2018093695-A1 FACTOR XIIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-05-24 WO 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-10875851-B2 Factor XIIa inhibitors F11, F13B, SERPINC1 HDAC4 319/4885HDAC1 449/4885HDAC6 574/4885
US-20220298138-A1 ENZYME INHIBITORS SERPINB1, CMA1, MAOB HDAC4 900/4885HDAC1 67/4885HDAC6 732/4885
US-20190352294-A1 Factor XIIa Inhibitors F11, F13B, SERPINC1 HDAC4 319/4885HDAC1 449/4885HDAC6 574/4885

“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.