SCHEMBL7458622

SCHEMBL7458622

CC(C)CN(c1cccc(C[C@@H](C)CN)c1O)S(=O)(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 5/20 0.45
MCL1 Q07820 5/20 0.45
BCL2L1 Q07817 4/20 0.45
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL4853866 0.92 RORC (0.44) RORCMCL1BCL2L1PSEN1PSEN2
SCHEMBL2577609 0.91 RORC (0.43) RORCMCL1BCL2L1PSEN1PSEN2
SCHEMBL5996194 0.91 CYP2C8 (0.40) RORCMCL1BCL2L1LMNAPOLB
SCHEMBL13673923 0.89 RORC (0.41) RORCMCL1BCL2L1LMNAPSEN1
SCHEMBL2581362 0.88 KEAP1 (0.47) RORCMCL1BCL2L1GAANR1H2
SCHEMBL2581276 0.83 KEAP1 (0.44) RORCLMNAHPGDPSEN1PSEN2
SCHEMBL7458221 0.82 PTGES (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2578817 0.81 MMP2 (0.47) RORC
SCHEMBL6375010 0.80 MCL1 (0.39) RORCMCL1BCL2L1HPGD
SCHEMBL7255192 0.79 ACHE (0.43) RORCMCL1BCL2L1CYP2C9CYP2C19

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 claimed

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 3583/4885MCL1 1611/4885BCL2L1 2180/4885

“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.