SCHEMBL6835804

SCHEMBL6835804

CCN(CC)c1ccc(NS(=O)(=O)c2csc(C(=O)Nc3ccc(Br)cc3C(=O)O)c2C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 2/20 0.46
GFER P55789 1/20 0.46
PTGES O14684 1/20 0.44
ALOX5 P09917 1/20 0.44
METAP2 P50579 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 4/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
F10 P00742 1/20 0.40
GPR27 Q9NS67 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
NPC1 O15118 2/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
EDNRB P24530 1/20 0.39
EDNRA P25101 1/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 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
SCHEMBL4097117 0.90 RPA1 (0.55) RPA1GFERPTGESALOX5METAP2
SCHEMBL6830237 0.85 RPA1 (0.47) RPA1GFERPTGESALOX5METAP2
SCHEMBL6353969 0.84 PTGES (0.61) RPA1GFERPTGESALOX5SMN1; SMN2
SCHEMBL6353520 0.83 RPA1 (0.68) RPA1GFERPTGESALOX5SMN1; SMN2
SCHEMBL6355569 0.81 METAP2 (0.52) RPA1GFERMETAP2SMN1; SMN2MAPT
SCHEMBL6818512 0.81 RPA1 (0.51) RPA1GFERPTGESALOX5METAP2
SCHEMBL6818216 0.80 MAPT (0.49) RPA1GFERPTGESALOX5MAPT
SCHEMBL4087296 0.80 RPA1 (0.66) RPA1GFERPTGESALOX5SMN1; SMN2
SCHEMBL6833237 0.80 RAB9A (0.45) RPA1GFERPTGESALOX5SMN1; SMN2
SCHEMBL6351450 0.79 MEN1 (0.67) RPA1GFERSMN1; SMN2MAPTMEN1

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 RPA1 3767/4885GFER 900/4885PTGES 651/4885

“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.