SCHEMBL6835340

SCHEMBL6835340

O=C(NCc1ccc(F)cc1)c1ccc2c(c1)C(=O)C(Cc1ccc(F)c(F)c1)[S+]([O-])N2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.41
ROCK2 O75116 2/20 0.41
ROCK1 Q13464 1/20 0.41
HTR7 P34969 1/20 0.41
MAPT P10636 2/20 0.39
PTGER4 P35408 1/20 0.39
BRD4 O60885 1/20 0.39
DRD2 P14416 1/20 0.39
LMNA P02545 4/20 0.39
TP53 P04637 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
MAPK1 P28482 1/20 0.38
POLB P06746 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
PPARG P37231 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL6834773 0.92 MAPT (0.42) CNR1MAPTPTGER4DRD2LMNA
SCHEMBL6837223 0.92 PPARG (0.43) CNR1MAPTPTGER4DRD2LMNA
SCHEMBL6834729 0.92 TP53 (0.44) CNR1ROCK2ROCK1MAPTPTGER4
SCHEMBL6831844 0.90 ALDH1A1 (0.45) ROCK2ROCK1MAPTDRD2LMNA
SCHEMBL6835302 0.90 MAPT (0.46) CNR1ROCK2ROCK1MAPTDRD2
SCHEMBL6831840 0.89 TP53 (0.42) CNR1ROCK2ROCK1MAPTPTGER4
SCHEMBL6835367 0.89 EPHX2 (0.44) CNR1MAPTPTGER4LMNATP53
SCHEMBL6835570 0.84 GRK6 (0.34) PTGER4L3MBTL1
SCHEMBL6685364 0.83 ALDH1A1 (0.50) ROCK2ROCK1MAPTDRD2LMNA
SCHEMBL6835519 0.83 ALDH1A1 (0.44) ROCK2ROCK1MAPTDRD2LMNA

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-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 CNR1 3350/4885ROCK2 38/4885ROCK1 35/4885

“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.