SCHEMBL6358050

SCHEMBL6358050

CCN(CC)C(=O)c1c(F)ccc(F)c1C(=O)Nc1ccc(Br)cc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 4/20 0.50
AKR1C1 Q04828 4/20 0.50
POLB P06746 2/20 0.49
AKR1C4 P17516 1/20 0.46
AKR1C3 P42330 1/20 0.46
KCNK2 O95069 1/20 0.45
KCNK10 P57789 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 3/20 0.44
ABL1 P00519 1/20 0.44
TSHR P16473 1/20 0.44
RIN1 Q13671 1/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PTGFR P43088 2/20 0.42
APEX1 P27695 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
SCHEMBL6357911 0.84 MAP2K1 (0.43)
SCHEMBL1307380 0.80 AKR1C2 (0.64) AKR1C2AKR1C1POLBAKR1C4AKR1C3
SCHEMBL1309186 0.73 AKR1C2 (0.58) AKR1C2AKR1C1POLBAKR1C4AKR1C3
SCHEMBL6347855 0.73 AKR1C2 (0.72) AKR1C2AKR1C1AKR1C4AKR1C3KCNK2
SCHEMBL1285766 0.72 MLYCD (0.46) TDP1MEN1KMT2AMAPTNPC1
SCHEMBL6359829 0.71 KCNK2 (0.57) AKR1C2AKR1C1POLBAKR1C4AKR1C3
SCHEMBL1307972 0.71 TP53 (0.70) AKR1C2AKR1C1AKR1C4AKR1C3KCNK2
SCHEMBL1308286 0.70 NPC1 (0.57) AKR1C2AKR1C1POLBAKR1C4AKR1C3
SCHEMBL6359676 0.70 AKR1C2 (0.55) AKR1C2AKR1C1POLBAKR1C4AKR1C3
SCHEMBL17166275 0.70 AKR1C2 (0.73) AKR1C2AKR1C1POLBAKR1C4AKR1C3

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-20050113450-A1 Antibacterial agents PHARMACIA & UPJOHN COMPANY 2005-05-26 US claimed

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-20050113450-A1 Antibacterial agents CLPP, SPOUT1, SAMHD1 AKR1C2 3012/4885AKR1C1 2615/4885POLB 325/4885

“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.