SCHEMBL21752389

SCHEMBL21752389

CC(=O)c1nn(CC(=O)OC(C)(C)C)c2c(C)cc(-c3ccc(CO)nc3)cc12

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CFD P00746 15/20 0.40
TNF P01375 1/20 0.35
GRIN2B Q13224 2/20 0.33
GRIN1 Q05586 1/20 0.33
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL30207325 0.88 CFD (0.43) CFDGRIN2BGRIN1KDM4EALDH1A1
SCHEMBL21752186 0.88 CFD (0.43) CFDGRIN2BGRIN1KDM4EALDH1A1
SCHEMBL21752207 0.87 CFD (0.37) CFDALDH1A1
SCHEMBL21752418 0.86 CFD (0.47) CFDTNFGRIN2BTLR9TLR8
SCHEMBL29468465 0.86 CFD (0.51) CFD
SCHEMBL18554943 0.86 CFD (0.51) CFD
SCHEMBL24966644 0.85 CFD (0.39) CFDGRIN2BGRIN1TLR9TLR8
SCHEMBL21752157 0.85 CFD (0.44) CFDKDM4EALDH1A1
SCHEMBL21752366 0.85 CFD (0.44) CFDGRIN2BKDM4EALDH1A1
SCHEMBL21752676 0.84 CFD (0.43) CFDTNFKDM4EALDH1A1

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-3841086-B1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT FACTOR D MEDICAL DISORDERS ACHILLION PHARMACEUTICALS INC (US) 2025-04-23 EP disclosed
US-20230022157-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT FACTOR D MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2023-01-26 US disclosed
US-20230022157-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT FACTOR D MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2023-01-26 US disclosed
EP-3841086-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT FACTOR D MEDICAL DISORDERS Achillion Pharmaceuticals, Inc. (US) 2021-06-30 EP disclosed
WO-2020041301-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT FACTOR D MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2020-02-27 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 (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-20230022157-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT FACTOR D MEDICAL DISORDERS CFD, CFH, TFPI CFD 1/4885TNF 2404/4885GRIN2B 3901/4885

“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.