SCHEMBL6350824

SCHEMBL6350824

COC(=O)c1ccc(C(=O)Nc2ccc(Br)cc2C(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK2 O95069 1/20 0.62
KCNK10 P57789 1/20 0.62
AKR1C2 P52895 4/20 0.61
AKR1C1 Q04828 4/20 0.61
AKR1C4 P17516 1/20 0.61
AKR1C3 P42330 1/20 0.61
MAPT P10636 6/20 0.58
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
ALDH1A1 P00352 2/20 0.55
HTT P42858 1/20 0.55
ABL1 P00519 1/20 0.54
TSHR P16473 1/20 0.54
RIN1 Q13671 1/20 0.54
GAA P10253 2/20 0.53
MAPK1 P28482 1/20 0.53
DHODH Q02127 1/20 0.53
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL17166275 0.90 AKR1C2 (0.73) KCNK2KCNK10AKR1C2AKR1C1AKR1C4
SCHEMBL4209179 0.89 AKR1C2 (0.56) KCNK2KCNK10AKR1C2AKR1C1AKR1C4
SCHEMBL6349859 0.88 MAPT (0.76) KCNK2KCNK10AKR1C2AKR1C1AKR1C4
SCHEMBL6350407 0.86 KCNK2 (0.64) KCNK2KCNK10AKR1C2AKR1C1AKR1C4
SCHEMBL6348852 0.85 AKR1C2 (0.72) KCNK2KCNK10AKR1C2AKR1C1AKR1C4
SCHEMBL31454340 0.84 MAPT (0.72) AKR1C2AKR1C1AKR1C4AKR1C3MAPT
SCHEMBL17166040 0.84 MEN1 (0.68) KCNK2KCNK10AKR1C2AKR1C1AKR1C4
SCHEMBL14075415 0.84 MAPT (0.72) AKR1C2AKR1C1AKR1C4AKR1C3MAPT
SCHEMBL20512990 0.84 SERPINE1 (0.66) KCNK2KCNK10AKR1C2AKR1C1AKR1C4
SCHEMBL9513479 0.84 MAPT (0.80) KCNK2KCNK10AKR1C2AKR1C1AKR1C4

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 KCNK2 4133/4885KCNK10 3271/4885AKR1C2 3012/4885

“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.