SCHEMBL7255192

SCHEMBL7255192

CC(C)CN(c1cccc(C[C@@H](C)CN(Cc2ccccc2)C(=O)O)c1O)S(=O)(=O)c1ccc(N)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.43
RORC P51449 6/20 0.41
TEAD1 P28347 1/20 0.40
NR3C1 P04150 1/20 0.39
CYP2C8 P10632 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C18 P33260 2/20 0.39
CYP2C19 P33261 2/20 0.39
MCL1 Q07820 4/20 0.38
BCL2L1 Q07817 3/20 0.38
BACE1 P56817 1/20 0.37
ESR1 P03372 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 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
SCHEMBL2579843 0.91 RORC (0.43) RORCTEAD1NR3C1MEN1KMT2A
SCHEMBL2577766 0.91 MCL1 (0.44) RORCTEAD1NR3C1MCL1BCL2L1
SCHEMBL7257038 0.89 KEAP1 (0.48) NR3C1MEN1MAPTKMT2A
SCHEMBL7252238 0.88 MAPT (0.52) RORCNR3C1MEN1GAAMAPT
SCHEMBL2577609 0.83 RORC (0.43) ACHERORCCYP2C8CYP2C9CYP2C18
SCHEMBL7455279 0.83 TEAD1 (0.43) TEAD1ESR1MEN1MAPTKMT2A
SCHEMBL7255108 0.82 KEAP1 (0.46) NR3C1MAPT
SCHEMBL7458622 0.79 RORC (0.45) RORCCYP2C9CYP2C19MCL1BCL2L1
SCHEMBL7256988 0.78 MCL1 (0.43) RORCNR3C1MCL1BCL2L1MEN1
SCHEMBL4853866 0.76 RORC (0.44) RORCMCL1BCL2L1ESR1

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-20030191319-A1 Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE & CO. 2003-10-09 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-20030191319-A1 Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, ASPH, PREP ACHE 2422/4885RORC 3583/4885TEAD1 1447/4885

“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.