SCHEMBL6932947

SCHEMBL6932947

CCCCCSc1nnc(C(=O)Nc2ccc(Br)cc2C(=O)O)o1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
MAPT P10636 3/20 0.49
TP53 P04637 1/20 0.49
PLK1 P53350 9/20 0.48
AKR1C2 P52895 3/20 0.48
AKR1C1 Q04828 3/20 0.48
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 1/20 0.42
AKR1C4 P17516 1/20 0.42
AKR1C3 P42330 1/20 0.42
KCNK2 O95069 1/20 0.41
KCNK10 P57789 1/20 0.41
PLK3 Q9H4B4 2/20 0.40
STING1 Q86WV6 1/20 0.40
MEN1 O00255 1/20 0.39
ABL1 P00519 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
RIN1 Q13671 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
SCHEMBL6834019 0.82 HPGD (0.52) MAPTAKR1C2AKR1C1KDM4EAKR1C4
SCHEMBL6830598 0.79 POLB (0.53) POLBMAPTPLK1AKR1C2AKR1C1
SCHEMBL6834239 0.78 POLB (0.52) POLBPLK1AKR1C2AKR1C1TDP1
SCHEMBL6830480 0.78 POLB (0.52) POLBPLK1AKR1C2AKR1C1TDP1
SCHEMBL6833223 0.76 POLB (0.52) POLBPLK1AKR1C2AKR1C1TDP1
SCHEMBL6833242 0.76 PLK1 (0.58) POLBPLK1AKR1C2AKR1C1TDP1
SCHEMBL6819558 0.75 POLB (0.51) POLBPLK1AKR1C2AKR1C1TDP1
SCHEMBL6813815 0.75 PLK1 (0.57) POLBPLK1AKR1C2AKR1C1KDM4E
SCHEMBL6833147 0.73 POLB (0.53) POLBMAPTPLK1AKR1C2AKR1C1
SCHEMBL14075210 0.69 PLK1 (0.69) POLBPLK1AKR1C2AKR1C1AKR1C4

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 POLB 637/4885MAPT 4759/4885TP53 2331/4885

“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.