SCHEMBL6350795

SCHEMBL6350795

CN(CC(O)c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Br)cc2C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT3A Q9Y6K1 1/20 0.49
AKR1C2 P52895 4/20 0.47
AKR1C1 Q04828 4/20 0.47
AKR1C4 P17516 1/20 0.47
AKR1C3 P42330 1/20 0.47
MAPT P10636 3/20 0.47
KCNK2 O95069 1/20 0.45
KCNK10 P57789 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
PPARG P37231 1/20 0.45
PPARD Q03181 1/20 0.45
PPARA Q07869 1/20 0.45
DHODH Q02127 1/20 0.43
ALB P02768 1/20 0.43
ALDH1A1 P00352 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ABL1 P00519 1/20 0.42
TSHR P16473 1/20 0.42
RIN1 Q13671 1/20 0.42

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
SCHEMBL6350364 0.86 ALB (0.51) MEN1KMT2AALBALDH1A1
SCHEMBL6352378 0.81 MEN1 (0.61) AKR1C2AKR1C1AKR1C4AKR1C3MAPT
SCHEMBL6350782 0.79 AKR1C2 (0.51) DNMT3AAKR1C2AKR1C1AKR1C4AKR1C3
SCHEMBL6347821 0.79 APEX1 (0.58) AKR1C2AKR1C1AKR1C4AKR1C3MAPT
SCHEMBL6353021 0.79 MEN1 (0.55) AKR1C2AKR1C1AKR1C4AKR1C3MAPT
SCHEMBL6360374 0.78 MAPT (0.52) AKR1C2AKR1C1AKR1C4AKR1C3MAPT
SCHEMBL6357891 0.78 APEX1 (0.51) MEN1KMT2AALBTSHR
SCHEMBL6359027 0.78 ALB (0.50) MEN1KMT2AALBALDH1A1
SCHEMBL6347763 0.76 POLB (0.52) DNMT3AAKR1C2AKR1C1AKR1C4AKR1C3
SCHEMBL6352622 0.76 KCNK2 (0.59) DNMT3AAKR1C2AKR1C1AKR1C4AKR1C3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050113450-A1 Antibacterial agents PHARMACIA & UPJOHN COMPANY 2005-05-26 US claimed
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 DNMT3A 1184/4885AKR1C2 3012/4885AKR1C1 2615/4885

“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.