SCHEMBL20179503

SCHEMBL20179503

COC(=O)[C@@H](CCCCN1CCCCC1)NC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.48
ITGA2B P08514 9/20 0.48
HDAC4 P56524 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CTSK P43235 3/20 0.44
DRD2 P14416 4/20 0.41
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
CTSS P25774 1/20 0.40

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
SCHEMBL28937294 1.00 ITGB3 (0.48) ITGB3ITGA2BHDAC4HDAC1HDAC6
SCHEMBL2449068 0.91 ITGB3 (0.44) ITGB3ITGA2BHDAC4HDAC1HDAC6
SCHEMBL2449064 0.91 ITGB3 (0.44) ITGB3ITGA2BHDAC4HDAC1HDAC6
SCHEMBL21571117 0.89 HDAC4 (0.46) ITGB3ITGA2BHDAC4HDAC1HDAC6
SCHEMBL20166296 0.89 HDAC4 (0.46) ITGB3ITGA2BHDAC4HDAC1HDAC6
SCHEMBL27586355 0.89 HDAC4 (0.46) ITGB3ITGA2BHDAC4HDAC1HDAC6
SCHEMBL30191484 0.88 CTSK (0.47) ITGB3ITGA2BHDAC4HDAC1HDAC6
SCHEMBL30819570 0.87 DRD2 (0.43) ITGB3ITGA2BHDAC4HDAC1HDAC6
SCHEMBL267944 0.85 CTSK (0.46) ITGB3ITGA2BHDAC4HDAC1HDAC6
SCHEMBL21994809 0.83 CTSK (0.47) ITGB3ITGA2BHDAC4HDAC1HDAC6

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 9 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
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
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 ITGB3 411/4885ITGA2B 95/4885HDAC4 319/4885
US-20220298138-A1 ENZYME INHIBITORS SERPINB1, CMA1, MAOB ITGB3 3033/4885ITGA2B 1876/4885HDAC4 900/4885
US-20190352294-A1 Factor XIIa Inhibitors F11, F13B, SERPINC1 ITGB3 411/4885ITGA2B 95/4885HDAC4 319/4885

“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.