SCHEMBL6830408

SCHEMBL6830408

O=C(Nc1ccc(Br)cc1C(=O)O)c1csc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.48
LMNA P02545 3/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 7/20 0.47
NPC1 O15118 6/20 0.47
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
MAOB P27338 2/20 0.45
ALB P02768 1/20 0.43
RPA1 P27694 2/20 0.42
GFER P55789 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
AKR1C4 P17516 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL6353699 0.85 RAB9A (0.56) SMN1; SMN2LMNARAB9ANPC1TSHR
SCHEMBL6353696 0.85 PTGES (0.56) SMN1; SMN2LMNAHTTRAB9ANPC1
SCHEMBL6833237 0.84 RAB9A (0.45) SMN1; SMN2LMNAHTTRAB9ANPC1
SCHEMBL6437241 0.83 RPA1 (0.64) SMN1; SMN2LMNARAB9ANPC1HPGD
SCHEMBL6353681 0.83 KMT2A (0.64) SMN1; SMN2LMNAHTTRAB9ANPC1
SCHEMBL6358855 0.81 MAPT (0.57) SMN1; SMN2LMNAHTTRAB9ANPC1
SCHEMBL6833850 0.81 RAB9A (0.45) SMN1; SMN2LMNAHTTRAB9ANPC1
SCHEMBL6351810 0.80 KMT2A (0.52) SMN1; SMN2LMNAHTTHPGDTSHR
SCHEMBL6357750 0.79 POLB (0.59) SMN1; SMN2LMNAHTTRAB9ANPC1
SCHEMBL6830237 0.79 RPA1 (0.47) SMN1; SMN2HTTRAB9ANPC1TSHR

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 SMN1; SMN2 2022/4885LMNA 3376/4885HTT 1599/4885

“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.