SCHEMBL7447488

SCHEMBL7447488

COc1ccc(S(=O)(=O)N(CC(C)C)c2cccc(C[C@@H](C)CNC(=O)c3ccc4nc(N)sc4c3)c2O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.43
CYP3A4 P08684 3/20 0.42
CYP2D6 P10635 2/20 0.42
HPGD P15428 3/20 0.41
KCNH2 Q12809 1/20 0.39
CYP2C19 P33261 2/20 0.39
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CYP1A2 P05177 1/20 0.37
LMNA P02545 3/20 0.37
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36

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
SCHEMBL6101123 0.82 CYP3A4 (0.37) CYP2C9CYP3A4CYP2D6HPGDALDH1A1
SCHEMBL6871955 0.80 ALDH1A1 (0.41) CYP2C9CYP3A4CYP2D6HPGDCYP2C19
SCHEMBL2581362 0.75 KEAP1 (0.47) GAA
SCHEMBL5174385 0.74 ALDH1A1 (0.45) CYP2C9CYP3A4CYP2D6HPGDCYP2C19
SCHEMBL7456019 0.74 PTGER1 (0.41) HPGDMAPTKMT2ASMN1; SMN2MEN1
SCHEMBL7257359 0.74 MAPT (0.43) ALDH1A1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL8370091 0.73 KEAP1 (0.45) KMT2AGAAMEN1
SCHEMBL5982918 0.73 POLB (0.44) HPGDALDH1A1MAPTKMT2APOLB
SCHEMBL2582577 0.72 CYP2D6 (0.47) CYP2C9CYP3A4CYP2D6HPGDKCNH2
SCHEMBL5026438 0.71 PTGER1 (0.38) HPGDLMNAMAPTKMT2APOLB

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-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 CYP2C9 3565/4885CYP3A4 2672/4885CYP2D6 3871/4885

“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.