SCHEMBL6834271

SCHEMBL6834271

Cc1sc(C(=O)Nc2ccc(Br)cc2C(=O)O)cc1S(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
SERPINE1 P05121 2/20 0.46
ALB P02768 2/20 0.45
MAPT P10636 5/20 0.43
TP53 P04637 2/20 0.43
MAPK1 P28482 2/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
METAP2 P50579 1/20 0.42
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 1/20 0.41
THRB P10828 1/20 0.40
DNMT3A Q9Y6K1 1/20 0.40
HSD11B1 P28845 1/20 0.40
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40

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
SCHEMBL6834058 0.84 MAPT (0.49) MEN1KMT2ASERPINE1ALBMAPT
SCHEMBL6357362 0.81 ALB (0.53) MEN1KMT2ASERPINE1ALBMAPT
SCHEMBL6830627 0.81 CPT1A (0.46) MEN1KMT2ADNMT3APPARGPPARD
SCHEMBL6351095 0.80 MAPT (0.53) KMT2ASERPINE1ALBMAPTTP53
SCHEMBL6835788 0.80 METAP2 (0.45) MEN1KMT2ASERPINE1MAPTMETAP2
SCHEMBL6818779 0.80 ALB (0.51) MEN1KMT2AALBMAPTTP53
SCHEMBL6833867 0.79 METAP2 (0.52) MEN1KMT2AMAPTHTTMETAP2
SCHEMBL6833979 0.79 HTT (0.52) MEN1KMT2AALBMAPTTP53
SCHEMBL6813966 0.79 SERPINE1 (0.52) MEN1KMT2ASERPINE1ALBMAPT
SCHEMBL6819583 0.79 ALB (0.53) MEN1KMT2ASERPINE1ALBMAPT

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 MEN1 4132/4885KMT2A 2853/4885SERPINE1 1860/4885

“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.