SCHEMBL6833908

SCHEMBL6833908

NS(=O)(=O)c1ccc2onc(C(=O)Nc3ccc(Br)cc3C(=O)O)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 11/20 0.45
CA2 P00918 11/20 0.45
AKR1C2 P52895 2/20 0.44
AKR1C1 Q04828 2/20 0.44
AKR1C4 P17516 1/20 0.44
AKR1C3 P42330 1/20 0.44
CA12 O43570 4/20 0.43
METAP2 P50579 2/20 0.43
CA4 P22748 2/20 0.43
CA5A P35218 2/20 0.43
CA7 P43166 2/20 0.43
CA5B Q9Y2D0 2/20 0.43
MAOB P27338 1/20 0.43
ALB P02768 1/20 0.43
CA9 Q16790 4/20 0.41
PLK1 P53350 1/20 0.40
KCNK2 O95069 1/20 0.40
KCNK10 P57789 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL6833947 0.89 AKR1C2 (0.51) AKR1C2AKR1C1AKR1C4AKR1C3KCNK2
SCHEMBL6833153 0.89 METAP2 (0.46) AKR1C2AKR1C1AKR1C4AKR1C3METAP2
SCHEMBL6822001 0.88 MEN1 (0.43) AKR1C2AKR1C1AKR1C4AKR1C3METAP2
SCHEMBL6834200 0.86 MEN1 (0.51) AKR1C2AKR1C1AKR1C4AKR1C3METAP2
SCHEMBL6833780 0.85 ALB (0.55) ALBKDM4E
SCHEMBL6833164 0.85 RXFP1 (0.54) AKR1C2AKR1C1METAP2KDM4E
SCHEMBL6833802 0.84 ALB (0.66) ALBKDM4E
SCHEMBL6834204 0.84 KMT2A (0.51) AKR1C2AKR1C1AKR1C4AKR1C3CA12
SCHEMBL6834329 0.82 HIF1A (0.60) AKR1C2AKR1C1AKR1C4AKR1C3
SCHEMBL6830124 0.80 AKR1C2 (0.43) AKR1C2AKR1C1AKR1C4AKR1C3ALB

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-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US 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 CA1 2993/4885CA2 2212/4885AKR1C2 2596/4885

“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.