SCHEMBL6835647

SCHEMBL6835647

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 1/20 0.47
DRD2 P14416 5/20 0.44
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
MAPT P10636 4/20 0.43
GFER P55789 1/20 0.43
KLKB1 P03952 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
EPHX2 P34913 1/20 0.42
RAB9A P51151 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 2/20 0.42
DRD3 P35462 2/20 0.41
KDM4E B2RXH2 1/20 0.41
RECQL P46063 1/20 0.41

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 0.93 ALDH1A1 (0.45) ALDH1A1MAPK1DRD2MAPTGFER
SCHEMBL6837172 0.93 ALDH1A1 (0.45) ALDH1A1MAPK1DRD2MAPTGFER
SCHEMBL6831861 0.91 HTR7 (0.47) ALDH1A1MAPK1DRD2ROCK2ROCK1
SCHEMBL6834741 0.90 ALDH1A1 (0.47) ALDH1A1MAPK1DRD2ROCK2ROCK1
SCHEMBL6835489 0.90 SMN1; SMN2 (0.51) ALDH1A1MAPK1DRD2ROCK2ROCK1
SCHEMBL6681605 0.89 DRD2 (0.49) ALDH1A1MAPK1DRD2MAPTMEN1
SCHEMBL6837107 0.89 RXFP1 (0.48) ALDH1A1MAPK1DRD2ROCK2ROCK1
SCHEMBL6837495 0.88 ALDH1A1 (0.47) ALDH1A1MAPK1DRD2MAPTGFER
SCHEMBL6831784 0.84 PPARG (0.42) MAPK1DRD2MAPTEPHX2L3MBTL1
SCHEMBL6831716 0.84 MAPT (0.42) MAPK1DRD2MAPTL3MBTL1SMN1; 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 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 857/4885DRD2 1883/4885

“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.