SCHEMBL21875826

SCHEMBL21875826

CN1CCC=C(CC(NC(=O)OC(C)(C)C)C(=O)O)C1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.45
▸ MAPK1 P28482 1/20 0.43
▸ ITGB3 P05106 1/20 0.43
▸ ITGA2B P08514 1/20 0.43
▸ ITGA4 P13612 2/20 0.42
▸ ITGB7 P26010 2/20 0.42
▸ PPARA Q07869 7/20 0.41
▸ PPARG P37231 6/20 0.41
▸ PPARD Q03181 2/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ AKT1 P31749 1/20 0.39
▸ CTSS P25774 2/20 0.39
▸ CTSL P07711 1/20 0.39
▸ CTSB P07858 1/20 0.39
▸ CTSK P43235 1/20 0.39
▸ IDO1 P14902 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
SCHEMBL21875824 1.00 ACE (0.45) ACEMAPK1ITGB3ITGA2BITGA4
SCHEMBL20622191 0.89 KLK5 (0.41) ACEAKT1CTSSCTSLCTSB
SCHEMBL28441375 0.89 KLK5 (0.41) ACEAKT1CTSSCTSLCTSB
SCHEMBL16228847 0.80 ACE (0.48) ACEMAPK1ITGB3ITGA2BITGA4
SCHEMBL16119290 0.80 ACE (0.48) ACEMAPK1ITGB3ITGA2BITGA4
SCHEMBL14118068 0.75 ACE (0.48) ACEMAPK1ITGB3ITGA2BITGA4
SCHEMBL8131706 0.74 ACE (0.46) ACEPPARAPPARGKMT2AAKT1
SCHEMBL11349136 0.74 ACE (0.47) ACEMAPK1ITGB3ITGA2BITGA4
SCHEMBL15367523 0.74 ACE (0.47) ACEMAPK1ITGB3ITGA2BITGA4
SCHEMBL26980917 0.74 ACE (0.47) ACEMAPK1ITGB3ITGA2BITGA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3647315-B9 PHOSPHORUS-CONTAINING COMPOUND AND PREPARATION AND USE THEREOF VIVAVISION BIOTECH LTD (CN) 2025-06-04 — — EP disclosed
EP-3647315-B1 PHOSPHORUS-CONTAINING COMPOUND AND PREPARATION AND USE THEREOF VIVAVISION BIOTECH LTD (CN) 2024-11-20 — — EP disclosed
US-11325929-B2 Phosphorus-containing compound and preparation and use thereof VIVAVISIONSHANGHAILTD (CN) 2022-05-10 — — US disclosed
EP-3647315-A1 PHOSPHORUS-CONTAINING COMPOUND AND PREPARATION AND USE THEREOF Vivavisionshanghailtd (CN) 2020-05-06 — — EP disclosed
US-20200131206-A1 PHOSPHORUS-CONTAINING COMPOUND AND PREPARATION AND USE THEREOF VIVAVISIONSHANGHAILTD (CN) 2020-04-30 — — 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-11325929-B2 Phosphorus-containing compound and preparation and use thereof INPP5D, CXCL12, INPPL1 ACE 1059/4885MAPK1 446/4885ITGB3 1739/4885
US-20200131206-A1 PHOSPHORUS-CONTAINING COMPOUND AND PREPARATION AND USE THEREOF INPP5D, CXCL12, INPPL1 ACE 1059/4885MAPK1 446/4885ITGB3 1739/4885

“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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