SCHEMBL6018046

SCHEMBL6018046

CCOC(=O)c1nc(-c2ccccc2S(=O)(=O)N(C)C)n(C)c(=O)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.42
ALDH1A1 P00352 5/20 0.42
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA2 P47869 2/20 0.41
GABRA1 P14867 1/20 0.41
GABRA3 P34903 1/20 0.41
KMT2A Q03164 3/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
PABPC1 P11940 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
ERCC1 P07992 1/20 0.37
FEN1 P39748 1/20 0.37
ERCC4 Q92889 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
SCHEMBL6018051 0.79 ALDH1A1 (0.44) KDM4EALDH1A1GABRG2GABRB3GABRA5
SCHEMBL6017893 0.77 CCR1 (0.50) KMT2AMEN1ERCC1FEN1ERCC4
SCHEMBL6017780 0.77 MEN1 (0.41) ALDH1A1KMT2AMEN1POLB
SCHEMBL6018492 0.76 GABRG2 (0.42) KDM4EALDH1A1GABRG2GABRB3GABRA5
SCHEMBL6018251 0.75 CNR1 (0.43) ALDH1A1KMT2AMAPTMEN1HPGD
SCHEMBL6017757 0.74 KMT2A (0.39) ALDH1A1KMT2AMAPTMEN1POLB
SCHEMBL6017629 0.73 LMNA (0.48) KDM4EALDH1A1GABRG2GABRB3GABRA5
SCHEMBL6017769 0.73 ALDH1A1 (0.49) KDM4EALDH1A1GABRG2GABRB3GABRA5
SCHEMBL6017939 0.72 KDM4E (0.43) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL22079306 0.72 GABRG2 (0.50) KDM4EALDH1A1GABRG2GABRB3GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7037908-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2006-05-02 US disclosed
US-20040229892-A1 Pyrimidine carboxamides; 5-hydroxy-2-(2-(1,1-Dioxo-6-[1,2]thiazinan-2-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamides; AIDS; AIDS related complex BRISTOL-MYERS SQUIBB COMPANY 2004-11-18 US disclosed
WO-2004096128-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-11 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-20040229892-A1 Pyrimidine carboxamides; 5-hydroxy-2-(2-(1,1-Dioxo-6-[1,2]thiazinan-2-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamides; AIDS; AIDS related complex DUT, CDK6, TYMS KDM4E 736/4885ALDH1A1 633/4885GABRG2 3716/4885

“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.