SCHEMBL7450471

SCHEMBL7450471

[CH2]c1cccc(N(CC(C)C)S(=O)(=O)c2ccc3sc(N)nc3c2)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 8/20 0.39
MAPT P10636 1/20 0.37
ATM Q13315 1/20 0.37
BCL2L1 Q07817 4/20 0.36
MCL1 Q07820 4/20 0.36
HDAC6 Q9UBN7 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
CYP2D6 P10635 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 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
SCHEMBL5174385 0.93 ALDH1A1 (0.45) RORCMAPTBCL2L1MCL1KDM4E
SCHEMBL7609854 0.81 RORC (0.39) RORCBCL2L1MCL1KMT2APSEN1
SCHEMBL8083391 0.81 RORC (0.32) RORCBCL2L1MCL1KMT2A
SCHEMBL7451743 0.80 RORC (0.45) RORCBCL2L1MCL1ALDH1A1LMNA
SCHEMBL7343868 0.79 RORC (0.47) RORCBCL2L1MCL1PSEN1PSEN2
SCHEMBL5031155 0.79 RORC (0.40) RORCMAPTALDH1A1PKM
SCHEMBL6871955 0.78 ALDH1A1 (0.41) RORCMAPTKDM4EALDH1A1LMNA
SCHEMBL7450627 0.77 RORC (0.46) RORCBCL2L1MCL1PSEN1PSEN2
SCHEMBL2578313 0.76 MCL1 (0.50) RORCBCL2L1MCL1ALDH1A1LMNA
SCHEMBL7447004 0.73 KEAP1 (0.47) RORCMAPTATMALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE43802-E1 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2012-11-13 US claimed
US-20020052399-A1 Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors VAZQUEZ MICHAEL L (US) 2002-05-02 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-20020052399-A1 Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, ASPH, PREP RORC 3583/4885MAPT 2442/4885ATM 3514/4885

“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.