SCHEMBL6833958

SCHEMBL6833958

Cn1c(C(=O)Nc2ccc(Cl)cc2C(=O)O)cc2cccc(S(=O)(=O)c3ccccc3)c21

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKR1C4 P17516 1/20 0.47
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
AKR1C1 Q04828 1/20 0.47
SERPINE1 P05121 7/20 0.46
ALB P02768 1/20 0.46
PPARG P37231 8/20 0.45
PPARD Q03181 8/20 0.45
PPARA Q07869 8/20 0.45
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SLC16A1 P53985 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
SCHEMBL7069536 0.89 PTPRC (0.41) PPARGPPARDPPARASLC16A1
SCHEMBL6830878 0.89 AKR1C2 (0.47) AKR1C4AKR1C3AKR1C2AKR1C1ALB
SCHEMBL6834074 0.86 ALB (0.44) ALBPPARGPPARDPPARASLC16A1
SCHEMBL6711949 0.83 GRM4 (0.36) PPARGPPARDPPARA
SCHEMBL6708841 0.81 GRIK1 (0.40)
SCHEMBL6830542 0.79 GRM4 (0.55) AKR1C4AKR1C3AKR1C2AKR1C1SERPINE1
SCHEMBL6835794 0.77 NHERF1 (0.53) AKR1C4AKR1C3AKR1C2AKR1C1SERPINE1
SCHEMBL6711677 0.74 HIF1A (0.40) PPARGPPARDPPARA
SCHEMBL417998 0.73 SERPINE1 (0.61) SERPINE1KDM4EHSD17B10
SCHEMBL6711652 0.72 FBP1 (0.33)

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 claimed
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 AKR1C4 2813/4885AKR1C3 2981/4885AKR1C2 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.