SCHEMBL6835722

SCHEMBL6835722

CCCCCCSc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)O)cn1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 12/20 0.57
KDM4E B2RXH2 2/20 0.57
ALB P02768 1/20 0.56
HTT P42858 1/20 0.53
SERPINE1 P05121 3/20 0.50
PLK3 Q9H4B4 2/20 0.50
TP53 P04637 1/20 0.48
KCNK2 O95069 1/20 0.47
KCNK10 P57789 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
SCHEMBL6813815 0.88 PLK1 (0.57) PLK1KDM4EALBHTTPLK3
SCHEMBL6830132 0.87 PLK1 (0.51) PLK1KDM4EALBSERPINE1PLK3
SCHEMBL6818760 0.86 PLK1 (0.49) PLK1KDM4EALBSERPINE1KCNK2
SCHEMBL6833308 0.86 ALB (0.75) PLK1KDM4EALBHTTPLK3
SCHEMBL6833865 0.86 ALB (0.75) PLK1KDM4EALBHTTPLK3
SCHEMBL6835634 0.85 ALB (0.77) PLK1KDM4EALBHTTSERPINE1
SCHEMBL6833946 0.85 ALB (0.76) PLK1KDM4EALBHTTPLK3
SCHEMBL6834113 0.83 KDM4E (0.46) PLK1KDM4EALBSERPINE1KCNK2
SCHEMBL6830644 0.82 ALB (0.77) PLK1KDM4EALBHTTPLK3
SCHEMBL6819558 0.77 POLB (0.51) PLK1KDM4EALBPLK3KCNK2

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 PLK1 4270/4885KDM4E 1240/4885ALB 1417/4885

“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.