SCHEMBL6837172

SCHEMBL6837172

COc1ccc(CNC(=O)c2ccc3c(c2)C(=O)C(Cc2ccc(F)c(Cl)c2)[S+]([O-])N3C)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
DRD2 P14416 3/20 0.42
MAPT P10636 5/20 0.41
GFER P55789 1/20 0.41
KLKB1 P03952 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
EPHX2 P34913 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
MMP13 P45452 1/20 0.40
RXFP1 Q9HBX9 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
SCHEMBL6831809 0.94 ALDH1A1 (0.45) ALDH1A1MAPK1SMN1; SMN2DRD2MAPT
SCHEMBL6835647 0.93 ALDH1A1 (0.47) ALDH1A1MAPK1SMN1; SMN2DRD2MAPT
SCHEMBL6837495 0.93 ALDH1A1 (0.47) ALDH1A1MAPK1SMN1; SMN2DRD2MAPT
SCHEMBL6831716 0.92 MAPT (0.42) MAPK1SMN1; SMN2DRD2MAPTL3MBTL1
SCHEMBL6835489 0.91 SMN1; SMN2 (0.51) ALDH1A1MAPK1SMN1; SMN2DRD2MAPT
SCHEMBL6837107 0.90 RXFP1 (0.48) ALDH1A1MAPK1SMN1; SMN2DRD2MAPT
SCHEMBL6834741 0.88 ALDH1A1 (0.47) ALDH1A1MAPK1DRD2MAPTKLKB1
SCHEMBL6681605 0.87 DRD2 (0.49) ALDH1A1MAPK1DRD2MAPTMEN1
SCHEMBL6834726 0.86 EPHX2 (0.43) MAPK1SMN1; SMN2DRD2MAPTEPHX2
SCHEMBL6831784 0.85 PPARG (0.42) MAPK1SMN1; SMN2DRD2MAPTEPHX2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040043985-A1 6,6-Fused heteroaryl derivatives as matrix metalloproteinase inhibitors HICKS JAMES LESTER (US) 2004-03-04 US claimed
US-20040043985-A1 6,6-Fused heteroaryl derivatives as matrix metalloproteinase inhibitors HICKS JAMES LESTER (US) 2004-03-04 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-20040043985-A1 6,6-Fused heteroaryl derivatives as matrix metalloproteinase inhibitors MMP13, MMP26, MMP9 ALDH1A1 1202/4885MAPK1 857/4885SMN1; SMN2 1366/4885

“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.