SCHEMBL6833242

SCHEMBL6833242

CCCCCCSc1ccc(C(=O)Nc2ccc(Br)cc2C(=O)O)nc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 10/20 0.58
AKR1C2 P52895 3/20 0.52
AKR1C1 Q04828 3/20 0.52
POLB P06746 1/20 0.52
STING1 Q86WV6 1/20 0.46
KCNK2 O95069 1/20 0.45
KCNK10 P57789 1/20 0.45
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
AKR1C4 P17516 1/20 0.42
AKR1C3 P42330 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PLK3 Q9H4B4 1/20 0.41
MCL1 Q07820 1/20 0.41
BCL2A1 Q16548 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
SCHEMBL6819558 0.87 POLB (0.51) PLK1AKR1C2AKR1C1POLBSTING1
SCHEMBL6833223 0.86 POLB (0.52) PLK1AKR1C2AKR1C1POLBSTING1
SCHEMBL6818461 0.85 PLK1 (0.56) PLK1AKR1C2AKR1C1PLK3MCL1
SCHEMBL6834239 0.84 POLB (0.52) PLK1AKR1C2AKR1C1POLBSTING1
SCHEMBL6830480 0.84 POLB (0.52) PLK1AKR1C2AKR1C1POLBSTING1
SCHEMBL6830598 0.83 POLB (0.53) PLK1AKR1C2AKR1C1POLBSTING1
SCHEMBL6833147 0.83 POLB (0.53) PLK1AKR1C2AKR1C1POLBSTING1
SCHEMBL6813815 0.81 PLK1 (0.57) PLK1AKR1C2AKR1C1POLBKCNK2
SCHEMBL6835741 0.80 NFKB1 (0.57) PLK1AKR1C2AKR1C1POLBSTING1
SCHEMBL11270225 0.78 TSHR (0.54) PLK1KDM4ETDP1MEN1KMT2A

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 4270/4885AKR1C2 2596/4885AKR1C1 2161/4885

“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.