SCHEMBL20878330

SCHEMBL20878330

CC(C)C(O)c1c[nH]c(=O)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.39
▸ ATAD2 Q6PL18 1/20 0.39
▸ DPYD Q12882 4/20 0.35
▸ MAPT P10636 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP19A1 P11511 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ THPO P40225 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ HBB P68871 1/20 0.34
▸ PMP22 Q01453 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ KDM5A P29375 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL9974771 0.78 — —
SCHEMBL18373246 0.73 GAA (0.38) GAAATAD2DPYDMAPTALDH1A1
SCHEMBL21789414 0.71 ATAD2 (0.39) GAAATAD2DPYDMAPTALDH1A1
SCHEMBL29181198 0.69 GAA (0.38) GAAATAD2DPYDMAPTALDH1A1
SCHEMBL10568546 0.69 MAPT (0.49) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL18610833 0.69 — —
SCHEMBL29181403 0.66 LMNA (0.36) GAAATAD2DPYDMAPTALDH1A1
SCHEMBL1918404 0.61 ATAD2 (0.52) GAAATAD2DPYDMAPTALDH1A1
SCHEMBL30166019 0.60 LMNA (0.45) GAAATAD2DPYDMAPTALDH1A1
SCHEMBL2888210 0.59 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10253053-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2019-04-09 — — 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-10253053-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of complement mediated disorders TFPI, CFD, F3 GAA 4022/4885ATAD2 918/4885DPYD 2107/4885

“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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