SCHEMBL22236571

SCHEMBL22236571

CC(C)C(=O)Nc1nc2c(ncn2C2OC(COSI)C3OC(C)(C)OC32)c(=O)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.48
▸ TAS1R3 Q7RTX0 1/20 0.48
▸ TAS1R1 Q7RTX1 1/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.42
▸ PI4KA P42356 1/20 0.41
▸ PI4K2B Q8TCG2 1/20 0.41
▸ PI4K2A Q9BTU6 1/20 0.41
▸ PI4KB Q9UBF8 1/20 0.41
▸ P2RX1 P51575 1/20 0.41
▸ P2RX3 P56373 1/20 0.41
▸ P2RX4 Q99571 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.38
▸ HINT1 P49773 3/20 0.38
▸ AMD1 P17707 2/20 0.37
▸ IMPDH2 P12268 2/20 0.37
▸ IMPDH1 P20839 1/20 0.37

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
SCHEMBL21461828 0.90 KDM4E (0.50) KDM4ETAS1R3TAS1R1RXFP1PI4KA
SCHEMBL21475718 0.90 KDM4E (0.50) KDM4ETAS1R3TAS1R1RXFP1PI4KA
SCHEMBL21475719 0.90 KDM4E (0.50) KDM4ETAS1R3TAS1R1RXFP1PI4KA
SCHEMBL15828296 0.88 KDM4E (0.51) KDM4ETAS1R3TAS1R1RXFP1PI4KA
SCHEMBL22236567 0.88 KDM4E (0.56) KDM4ETAS1R3TAS1R1RXFP1PI4KA
SCHEMBL25401028 0.88 KDM4E (0.56) KDM4ETAS1R3TAS1R1RXFP1PI4KA
SCHEMBL3313609 0.88 KDM4E (0.56) KDM4ETAS1R3TAS1R1RXFP1PI4KA
SCHEMBL15588764 0.88 KDM4E (0.56) KDM4ETAS1R3TAS1R1RXFP1PI4KA
SCHEMBL25404255 0.88 TAS1R3 (0.64) KDM4ETAS1R3TAS1R1P2RX1P2RX3
SCHEMBL15588763 0.83 RXFP1 (0.47) KDM4ETAS1R3TAS1R1RXFP1PI4KA

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-10717758-B2 D-amino acid compounds for liver disease IDENIX PHARMACEUTICALS LLC (US) 2020-07-21 — — 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-10717758-B2 D-amino acid compounds for liver disease AADAT, BCAT1, BCAT2 KDM4E 2229/4885TAS1R3 4618/4885TAS1R1 4580/4885

“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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