SCHEMBL6834402

SCHEMBL6834402

CCCCN(CCCC)CCCNS(=O)(=O)c1cc(C(=O)Nc2ccc(Br)cc2C(=O)O)cs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 3/20 0.47
AKR1C1 Q04828 3/20 0.47
POLB P06746 1/20 0.46
AKR1C4 P17516 1/20 0.41
AKR1C3 P42330 1/20 0.41
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ABL1 P00519 1/20 0.39
TSHR P16473 1/20 0.39
RIN1 Q13671 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DNMT3A Q9Y6K1 1/20 0.39
KCNK2 O95069 1/20 0.39
KCNK10 P57789 1/20 0.39
PLK1 P53350 6/20 0.38

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
SCHEMBL6835806 0.83 POLB (0.45) AKR1C2AKR1C1POLBAKR1C4AKR1C3
SCHEMBL6834061 0.81 POLB (0.46) AKR1C2AKR1C1POLBAKR1C4AKR1C3
SCHEMBL6929464 0.79 AKR1C2 (0.43) AKR1C2AKR1C1AKR1C4AKR1C3MAPT
SCHEMBL6830007 0.78 MEN1 (0.44) AKR1C2AKR1C1POLBAKR1C4AKR1C3
SCHEMBL6830237 0.76 RPA1 (0.47) AKR1C2AKR1C1POLBAKR1C4AKR1C3
SCHEMBL6833361 0.72 PPARG (0.49) AKR1C2AKR1C1AKR1C4AKR1C3MAPT
SCHEMBL6819031 0.71 METAP2 (0.46) AKR1C2AKR1C1AKR1C4AKR1C3MAPT
SCHEMBL6830408 0.69 SMN1; SMN2 (0.48) AKR1C2AKR1C1AKR1C4AKR1C3MEN1
SCHEMBL14075210 0.68 PLK1 (0.69) AKR1C2AKR1C1POLBAKR1C4AKR1C3
SCHEMBL6346862 0.67 AKR1C2 (0.80) 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-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 AKR1C2 2596/4885AKR1C1 2161/4885POLB 637/4885

“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.