SCHEMBL6830132

SCHEMBL6830132

CCCCCCSc1cnc(C(=O)Nc2ccc(Cl)cc2C(=O)O)cn1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 10/20 0.51
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 1/20 0.44
SERPINE1 P05121 3/20 0.43
ALB P02768 1/20 0.42
AKR1C4 P17516 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PLK3 Q9H4B4 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41

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
SCHEMBL6818760 0.99 PLK1 (0.49) PLK1KDM4EHSD17B10SERPINE1ALB
SCHEMBL6834113 0.96 KDM4E (0.46) PLK1KDM4EHSD17B10SERPINE1ALB
SCHEMBL6819558 0.89 POLB (0.51) PLK1KDM4EALBAKR1C4AKR1C3
SCHEMBL6833223 0.88 POLB (0.52) PLK1KDM4EALBAKR1C4AKR1C3
SCHEMBL6835722 0.87 PLK1 (0.57) PLK1KDM4ESERPINE1ALBPLK3
SCHEMBL6833718 0.87 ALB (0.58) PLK1ALBAKR1C2AKR1C1PLK3
SCHEMBL6822748 0.87 ALB (0.58) PLK1ALBAKR1C2AKR1C1PLK3
SCHEMBL6814498 0.87 ALB (0.58) PLK1ALBAKR1C2AKR1C1PLK3
SCHEMBL6819812 0.87 ALB (0.58) PLK1ALBAKR1C2AKR1C1PLK3
SCHEMBL6818796 0.85 ALB (0.59) PLK1KDM4EALBAKR1C2AKR1C1

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 PLK1 4270/4885KDM4E 1240/4885HSD17B10 2592/4885

“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.