SCHEMBL6819031

SCHEMBL6819031

CN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(Br)cc2C(=O)O)cs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.46
AKR1C2 P52895 4/20 0.44
AKR1C1 Q04828 4/20 0.44
AKR1C4 P17516 2/20 0.44
AKR1C3 P42330 2/20 0.44
DNMT3A Q9Y6K1 1/20 0.43
ACLY P53396 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SLC10A6 Q3KNW5 1/20 0.41
SERPINE1 P05121 3/20 0.41
KCNK2 O95069 1/20 0.41
KCNK10 P57789 1/20 0.41
SIRT2 Q8IXJ6 4/20 0.41
GRIK1 P39086 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
ABL1 P00519 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL6351360 0.84 METAP2 (0.55) METAP2AKR1C2AKR1C1DNMT3ASLC10A6
SCHEMBL6833131 0.84 METAP2 (0.47) METAP2AKR1C2AKR1C1AKR1C4AKR1C3
SCHEMBL6833863 0.83 METAP2 (0.48) METAP2AKR1C2AKR1C1AKR1C4AKR1C3
SCHEMBL6349263 0.83 DNMT3A (0.48) METAP2AKR1C2AKR1C1AKR1C4AKR1C3
SCHEMBL6347687 0.83 METAP2 (0.50) METAP2AKR1C2AKR1C1AKR1C4AKR1C3
SCHEMBL6353746 0.82 SIRT2 (0.61) AKR1C2AKR1C1AKR1C4AKR1C3SIRT2
SCHEMBL6822773 0.81 METAP2 (0.47) METAP2AKR1C2AKR1C1AKR1C4AKR1C3
SCHEMBL6349380 0.81 RPA1 (0.51) METAP2AKR1C2AKR1C1AKR1C4AKR1C3
SCHEMBL7063908 0.80 METAP2 (0.50) METAP2AKR1C2AKR1C1AKR1C4AKR1C3
SCHEMBL6833917 0.80 MAPK1 (0.50) METAP2AKR1C2AKR1C1AKR1C4AKR1C3

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-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US disclosed
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES 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-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 METAP2 3959/4885AKR1C2 2596/4885AKR1C1 2161/4885

“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.