SCHEMBL6378684

SCHEMBL6378684

Cc1ccc(S(=O)(=O)Sc2cc3[nH]c(=O)[nH]c3cc2C(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
DNMT1 P26358 1/20 0.43
BCHE P06276 3/20 0.40
ACHE P22303 3/20 0.40
ALDH1A1 P00352 6/20 0.39
PKM P14618 2/20 0.39
MAPK1 P28482 1/20 0.39
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
G6PD P11413 2/20 0.35
AKR1B1 P15121 1/20 0.34

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
SCHEMBL6302820 0.92 DNMT1 (0.43) KMT2AMEN1DNMT1BCHEACHE
SCHEMBL6296568 0.79 KMT2A (0.44) KMT2AMEN1DNMT1BCHEACHE
SCHEMBL6296402 0.78 DNMT1 (0.47) KMT2AMEN1DNMT1BCHEACHE
SCHEMBL6381936 0.78 TDP1 (0.40) KMT2ADNMT1BCHEACHEGAA
SCHEMBL8702569 0.77 DNMT1 (0.46) KMT2AMEN1DNMT1BCHEACHE
SCHEMBL5880835 0.76 DNMT1 (0.45) KMT2AMEN1DNMT1BCHEACHE
SCHEMBL8008611 0.76 DNMT1 (0.45) KMT2AMEN1DNMT1BCHEACHE
Hydrochloric Acid SCHEMBL5880769 0.75 DNMT1 (0.44) KMT2AMEN1DNMT1BCHEACHE
SCHEMBL7363568 0.73 NR4A2 (0.40) KMT2AMEN1DNMT1BCHEACHE
SCHEMBL6302892 0.73 KDM4E (0.52) KMT2AMEN1ALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040106606-A1 HIV protease inhibitors BOYER FREDERICK EARL (US) 2004-06-03 US claimed
US-20050075390-A1 HIV protease inhibitors AGOURON PHARMACEUTICALS, INC. 2005-04-07 US disclosed
US-6852711-B2 Novel dihydropyrones with tethered heterocycles having improved pharmacologic properties which potently inhibit the HIV aspartyl protease blocking HIV infectivity. The dihydropyrones are useful in the development of therapies for AGOURON PHARMACEUTICALS, INC. (US) 2005-02-08 US disclosed
US-20040106606-A1 HIV protease inhibitors BOYER FREDERICK EARL (US) 2004-06-03 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 (2 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-20040106606-A1 HIV protease inhibitors DNPEP, PREP, PEPD KMT2A 2939/4885MEN1 3684/4885DNMT1 3820/4885
US-20050075390-A1 HIV protease inhibitors DNPEP, PREP, PEPD KMT2A 2859/4885MEN1 3519/4885DNMT1 3678/4885

“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.