SCHEMBL6833147

SCHEMBL6833147

CCCCSc1cnc(C(=O)Nc2ccc(Br)cc2C(=O)O)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
AKR1C2 P52895 3/20 0.51
AKR1C1 Q04828 3/20 0.51
PLK1 P53350 5/20 0.45
STING1 Q86WV6 1/20 0.45
TDP1 Q9NUW8 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALB P02768 1/20 0.43
AKR1C4 P17516 1/20 0.42
AKR1C3 P42330 1/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
KCNK2 O95069 1/20 0.41
KCNK10 P57789 1/20 0.41
ABL1 P00519 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
RIN1 Q13671 1/20 0.40
HTT P42858 1/20 0.39

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
SCHEMBL6833223 0.97 POLB (0.52) POLBAKR1C2AKR1C1PLK1STING1
SCHEMBL6819558 0.96 POLB (0.51) POLBAKR1C2AKR1C1PLK1STING1
SCHEMBL6818676 0.92 POLB (0.45) POLBAKR1C2AKR1C1PLK1STING1
SCHEMBL6834113 0.89 KDM4E (0.46) POLBAKR1C2AKR1C1PLK1KDM4E
SCHEMBL6818627 0.87 ALB (0.59) POLBAKR1C2AKR1C1PLK1STING1
SCHEMBL6818760 0.86 PLK1 (0.49) AKR1C2AKR1C1PLK1KDM4EALB
SCHEMBL6834094 0.85 ALB (0.59) AKR1C2AKR1C1PLK1STING1KDM4E
SCHEMBL6830132 0.85 PLK1 (0.51) AKR1C2AKR1C1PLK1KDM4EALB
SCHEMBL6818682 0.83 AKR1C2 (0.38) POLBAKR1C2AKR1C1PLK1STING1
SCHEMBL6833242 0.83 PLK1 (0.58) POLBAKR1C2AKR1C1PLK1STING1

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 POLB 637/4885AKR1C2 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.