SCHEMBL6352812

SCHEMBL6352812

N#Cc1ccc(C(=O)O)cc1S(=O)(=O)N1CCc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.61
AKR1C1 Q04828 1/20 0.61
KMT2A Q03164 4/20 0.59
MEN1 O00255 3/20 0.54
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
LMNA P02545 3/20 0.49
MAPT P10636 2/20 0.49
MCL1 Q07820 2/20 0.49
L3MBTL1 Q9Y468 3/20 0.48
RAB9A P51151 2/20 0.48
TP53 P04637 1/20 0.48
NR2F2 P24468 1/20 0.48
ACLY P53396 1/20 0.48
STAT3 P40763 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SLC22A12 Q96S37 1/20 0.47

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
SCHEMBL6348605 0.82 AKR1C3 (0.65) AKR1C3AKR1C1KMT2AMEN1CASP3
SCHEMBL6358883 0.82 MAPT (0.56) KMT2AMEN1CASP3SENP8SENP7
SCHEMBL19990817 0.81 L3MBTL1 (0.54) KMT2AMEN1MAPTL3MBTL1RAB9A
SCHEMBL665198 0.76 MEN1 (0.87) AKR1C3AKR1C1KMT2AMEN1LMNA
SCHEMBL663840 0.76 AKR1C3 (1.00) AKR1C3AKR1C1KMT2AMEN1CASP3
SCHEMBL2510105 0.75 MCL1 (0.75) AKR1C3AKR1C1KMT2AMEN1MAPT
SCHEMBL3572213 0.73 AKR1C3 (0.72) AKR1C3AKR1C1KMT2AMEN1CASP3
SCHEMBL27179532 0.72 NR2F2 (0.75) KMT2AMEN1LMNAMAPTL3MBTL1
SCHEMBL6844886 0.71 SLC22A12 (0.47) AKR1C3AKR1C1KMT2AMEN1MAPT
SCHEMBL27180847 0.70 NR2F2 (0.70) KMT2AMEN1CASP3SENP8SENP7

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-20050113450-A1 Antibacterial agents PHARMACIA & UPJOHN COMPANY 2005-05-26 US disclosed
WO-2004018414-A2 ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO 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-20050113450-A1 Antibacterial agents CLPP, SPOUT1, SAMHD1 AKR1C3 3288/4885AKR1C1 2615/4885KMT2A 3645/4885

“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.