SCHEMBL7450756

SCHEMBL7450756

CNCC(=O)NN(C[C@H](C)Cc1cccc(N(CCC(C)C)S(=O)(=O)c2ccccc2)c1O)C(=O)CC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C18 P33260 1/20 0.33
CYP2C19 P33261 1/20 0.33
BCL2L1 Q07817 1/20 0.32
MCL1 Q07820 1/20 0.32
MAPT P10636 1/20 0.31
LMNA P02545 2/20 0.31
HTT P42858 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP13 P45452 1/20 0.31
MMP14 P50281 1/20 0.31
ADAM17 P78536 1/20 0.31

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
SCHEMBL5981485 0.91 BCL2L1 (0.32) CYP2C8CYP2C9CYP2C18CYP2C19BCL2L1
SCHEMBL4846592 0.91 MAPT (0.33) CYP2C8CYP2C9CYP2C18CYP2C19BCL2L1
SCHEMBL6295692 0.82 TEAD1 (0.35) BCL2L1MCL1MAPTLMNAHTT
SCHEMBL7584054 0.81 KMT2A (0.39) BCL2L1MCL1MMP2MMP13
SCHEMBL5981554 0.76 MCL1 (0.39) CYP2C8CYP2C9CYP2C18CYP2C19BCL2L1
SCHEMBL5996194 0.76 CYP2C8 (0.40) CYP2C8CYP2C9CYP2C18CYP2C19BCL2L1
SCHEMBL7873339 0.73 MCL1 (0.34) BCL2L1MCL1MAPT
SCHEMBL7455250 0.73 ADAM17 (0.37) CYP2C8CYP2C9CYP2C18CYP2C19BCL2L1
SCHEMBL7584634 0.72 NPC1 (0.39) BCL2L1MCL1
SCHEMBL6387295 0.72 RORC (0.33) BCL2L1MCL1LMNAHTT

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-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 claimed
EP-0715618-B1 HYDROXYETHYLAMINO SULPHONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS SEARLE & CO (US) 1998-12-16 EP 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 CYP2C8 2034/4885CYP2C9 3565/4885CYP2C18 1967/4885

“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.