SCHEMBL6835302

SCHEMBL6835302

O=C(NCc1ccc(F)cc1)c1ccc2c(c1)C(=O)C(Cc1cccc(F)c1)[S+]([O-])N2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
THRB P10828 2/20 0.46
LMNA P02545 2/20 0.46
RXFP1 Q9HBX9 2/20 0.46
CNR1 P21554 1/20 0.42
ROCK2 O75116 5/20 0.41
ROCK1 Q13464 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
DRD2 P14416 1/20 0.40
PLK4 O00444 1/20 0.40
CHEK1 O14757 1/20 0.40
AURKA O14965 1/20 0.40
MAPK13 O15264 1/20 0.40
PDPK1 O15530 1/20 0.40
DAPK3 O43293 1/20 0.40
DYRK3 O43781 1/20 0.40
RPS6KA5 O75582 1/20 0.40
PRKD3 O94806 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
SCHEMBL6831840 0.92 TP53 (0.42) MAPTTHRBLMNACNR1ROCK2
SCHEMBL6837120 0.92 TP53 (0.47) MAPTTHRBLMNARXFP1ROCK2
SCHEMBL6835340 0.90 CNR1 (0.41) MAPTLMNARXFP1CNR1ROCK2
SCHEMBL6834729 0.89 TP53 (0.44) MAPTTHRBLMNACNR1ROCK2
SCHEMBL6835367 0.88 EPHX2 (0.44) MAPTLMNACNR1TP53
SCHEMBL6834773 0.88 MAPT (0.42) MAPTTHRBLMNACNR1DRD2
SCHEMBL6837223 0.88 PPARG (0.43) MAPTLMNACNR1DRD2TP53
SCHEMBL6685364 0.86 ALDH1A1 (0.50) MAPTLMNAROCK2ROCK1ALDH1A1
SCHEMBL6835304 0.81 ALDH1A1 (0.46) MAPTLMNARXFP1ROCK2ROCK1
SCHEMBL6683279 0.81 NPC1 (0.49) MAPTLMNAROCK2ROCK1ALDH1A1

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 MAPT 2365/4885THRB 3648/4885LMNA 2566/4885

“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.