SCHEMBL6833907

SCHEMBL6833907

O=C(Nc1ccc(Br)cc1C(=O)O)c1csc(S(=O)(=O)N2CCc3ccccc32)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.57
PPARD Q03181 5/20 0.57
PPARA Q07869 5/20 0.57
MAPT P10636 6/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
TP53 P04637 3/20 0.51
LMNA P02545 4/20 0.49
ALB P02768 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
HTT P42858 2/20 0.46
STAT3 P40763 1/20 0.46
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
AKR1C3 P42330 2/20 0.45
AKR1C1 Q04828 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL6814072 0.89 PPARG (0.49) PPARGPPARDPPARAALB
SCHEMBL6360347 0.85 CNR1 (0.62) PPARGPPARDPPARAMAPTSMN1; SMN2
SCHEMBL6347350 0.84 PPARG (0.74) PPARGPPARDPPARAMAPTSMN1; SMN2
SCHEMBL6349511 0.81 MAPT (0.59) PPARGPPARDPPARAMAPTSMN1; SMN2
SCHEMBL6349628 0.80 MAPT (0.61) PPARGPPARDPPARAMAPTSMN1; SMN2
SCHEMBL6346610 0.80 MEN1 (0.64) PPARGPPARDPPARAMAPTSMN1; SMN2
SCHEMBL6358883 0.79 MAPT (0.56) PPARGPPARDPPARAMAPTSMN1; SMN2
SCHEMBL6346516 0.79 PPARG (0.56) PPARGPPARDPPARAMAPTSMN1; SMN2
SCHEMBL6346681 0.79 KMT2A (0.61) PPARGPPARDPPARAMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL6360166 0.79 MAPT (0.56) PPARGPPARDPPARAMAPTSMN1; SMN2

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 PPARG 285/4885PPARD 123/4885PPARA 134/4885

“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.