SCHEMBL6093718

SCHEMBL6093718

CCOC(=O)c1nc(S(C)(=O)=O)n(C)c(=O)c1OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
PPARG P37231 1/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HSP90AA1 P07900 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
MAOB P27338 2/20 0.40
RXFP1 Q9HBX9 2/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
XBP1 P17861 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL15455834 0.89 LMNA (0.49) HPGDMAOBMAPTALDH1A1TP53
SCHEMBL5300942 0.89 PKM (0.42) HPGDMEN1KMT2AMAOBNPC1
SCHEMBL5644365 0.87 KDM4E (0.44) KDM4EPPARGHPGDMEN1KMT2A
SCHEMBL3416727 0.86 KMT2A (0.46) KDM4EHPGDMEN1KMT2AHSP90AA1
SCHEMBL5645233 0.85 HPGD (0.40) KDM4EPPARGHPGDMEN1KMT2A
SCHEMBL5537803 0.85 CYP1A2 (0.43) KDM4EPPARGHPGDMEN1KMT2A
SCHEMBL6093940 0.84 KDM4E (0.45) KDM4EHPGDMEN1KMT2AHSP90AA1
SCHEMBL2512337 0.83 HPGD (0.47) KDM4EHPGDMEN1KMT2AHSP90AA1
SCHEMBL6093491 0.83 KDM4E (0.44) KDM4EPPARGHPGDMEN1KMT2A
SCHEMBL6094824 0.81 DCTPP1 (0.41) KDM4EALDH1A1HTTNPSR1LMNA

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-7135467-B2 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 (US) 2006-11-14 US disclosed
US-20040204498-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 US disclosed
WO-2004062613-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-07-29 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-20040204498-A1 HIV integrase inhibitors IMPDH1, TYMP, REV1 KDM4E 1484/4885PPARG 4148/4885HPGD 2482/4885

“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.