SCHEMBL6352275

SCHEMBL6352275

CN(C)c1ccc(CNS(=O)(=O)c2cccc(C(=O)Nc3ccc(Br)cc3C(=O)O)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 3/20 0.53
AKR1C1 Q04828 3/20 0.53
AKR1C4 P17516 1/20 0.53
AKR1C3 P42330 1/20 0.53
ALB P02768 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
PPARG P37231 1/20 0.49
PPARD Q03181 1/20 0.49
PPARA Q07869 1/20 0.49
HTT P42858 1/20 0.49
ALDH1A1 P00352 3/20 0.48
MAPT P10636 2/20 0.47
ABL1 P00519 1/20 0.47
TSHR P16473 1/20 0.47
RIN1 Q13671 1/20 0.47
TDP1 Q9NUW8 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
SCHEMBL6352089 0.90 TP53 (0.49) AKR1C2AKR1C1AKR1C4AKR1C3HDAC8
SCHEMBL6357909 0.86 MAPT (0.55) MEN1KMT2AHTTALDH1A1MAPT
SCHEMBL6359550 0.85 MEN1 (0.66) AKR1C2AKR1C1AKR1C4AKR1C3MEN1
SCHEMBL6358768 0.85 MEN1 (0.65) AKR1C2AKR1C1AKR1C4AKR1C3MEN1
SCHEMBL6830007 0.83 MEN1 (0.44) AKR1C2AKR1C1AKR1C4AKR1C3ALB
SCHEMBL6352333 0.82 MEN1 (0.52) AKR1C2AKR1C1AKR1C4AKR1C3MEN1
SCHEMBL6352806 0.80 MEN1 (0.61) AKR1C2AKR1C1AKR1C4AKR1C3MEN1
SCHEMBL6357674 0.79 HDAC2 (0.56) AKR1C2AKR1C1AKR1C4AKR1C3ALB
SCHEMBL6358260 0.79 AKR1C2 (0.70) AKR1C2AKR1C1AKR1C4AKR1C3ALB
SCHEMBL6830522 0.79 CA12 (0.44) AKR1C2AKR1C1AKR1C4AKR1C3MEN1

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-20050113450-A1 Antibacterial agents PHARMACIA & UPJOHN COMPANY 2005-05-26 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-20050113450-A1 Antibacterial agents CLPP, SPOUT1, SAMHD1 AKR1C2 3012/4885AKR1C1 2615/4885AKR1C4 3065/4885

“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.