SCHEMBL6830273

SCHEMBL6830273

CCCCCCSc1cnc(C(=O)Nc2ccc(C#N)cc2C(=O)O)nc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.55
PLK1 P53350 16/20 0.54
PLK3 Q9H4B4 2/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
KDM6B O15054 1/20 0.39
KDM4A O75164 1/20 0.39
KDM4D Q6B0I6 1/20 0.39
KDM3B Q7LBC6 1/20 0.39
HIF1AN Q9NWT6 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
KDM2A Q9Y2K7 1/20 0.39
MCL1 Q07820 1/20 0.38
BCL2A1 Q16548 1/20 0.38

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
SCHEMBL6818461 0.90 PLK1 (0.56) ALBPLK1PLK3AKR1C2AKR1C1
SCHEMBL6814498 0.83 ALB (0.58) ALBPLK1PLK3AKR1C2AKR1C1
SCHEMBL6833308 0.83 ALB (0.75) ALBPLK1PLK3
SCHEMBL6819812 0.83 ALB (0.58) ALBPLK1PLK3AKR1C2AKR1C1
SCHEMBL6833718 0.83 ALB (0.58) ALBPLK1PLK3AKR1C2AKR1C1
SCHEMBL6822748 0.83 ALB (0.58) ALBPLK1PLK3AKR1C2AKR1C1
SCHEMBL6833865 0.83 ALB (0.75) ALBPLK1PLK3
SCHEMBL6833946 0.82 ALB (0.76) ALBPLK1PLK3
SCHEMBL6818796 0.82 ALB (0.59) ALBPLK1PLK3AKR1C2AKR1C1
SCHEMBL6830610 0.80 ALB (0.54) ALBPLK1PLK3

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 ALB 1417/4885PLK1 4270/4885PLK3 3358/4885

“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.