SCHEMBL5007656

SCHEMBL5007656

COC(=O)c1ccc2c(c1)CCCC2n1cc(C[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(N)=O)nn1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HPN P05981 6/20 0.37
PLAU P00749 4/20 0.37
PSMD10 O75832 1/20 0.37
F2 P00734 5/20 0.37
MMP9 P14780 1/20 0.36
ST14 Q9Y5Y6 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
HGFAC Q04756 1/20 0.36
TCF4 P15884 1/20 0.35
CTNNB1 P35222 1/20 0.35
CYP2C9 P11712 1/20 0.35
HSD11B1 P28845 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
PRSS1 P07477 1/20 0.34

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
SCHEMBL5007658 1.00 KDM4E (0.38) KDM4EALDH1A1LMNAHPNPLAU
SCHEMBL5007662 1.00 KDM4E (0.38) KDM4EALDH1A1LMNAHPNPLAU
SCHEMBL5005249 0.94 TDP1 (0.42) KDM4EALDH1A1LMNAHPNPLAU
SCHEMBL5002139 0.94 TDP1 (0.42) KDM4EALDH1A1LMNAHPNPLAU
SCHEMBL5002134 0.94 TDP1 (0.42) KDM4EALDH1A1LMNAHPNPLAU
SCHEMBL5001776 0.93 TDP1 (0.42) HPNPLAUF2MMP9ST14
SCHEMBL5001746 0.93 TDP1 (0.42) HPNPLAUF2MMP9ST14
SCHEMBL5001825 0.93 TDP1 (0.42) HPNPLAUF2MMP9ST14
SCHEMBL5002169 0.88 F2 (0.38) HPNPLAUF2MMP9ST14
SCHEMBL5002161 0.88 F2 (0.38) HPNPLAUF2MMP9ST14

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-20080249106-A1 3-(1-((R)-7-((4-fluoropiperidin-1-yl)methyl)-3,4-dihydro-2H-chromen-4-yl)-1H-1,2,3-triazol-4-yl)-2-(4-methylphenylsulfonamido)propanoic acid; chronic pain analgesics; side effect reduction AMGEN INC. 2008-10-09 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-20080249106-A1 3-(1-((R)-7-((4-fluoropiperidin-1-yl)methyl)-3,4-dihydro-2H-chromen-4-yl)-1H-1,2,3-triazol-4-yl)-2-(4-methylphenylsulfonamido)propanoic acid; chronic pain analgesics; side effect reduction BDKRB1, BDKRB2, FPR1 KDM4E 2511/4885ALDH1A1 794/4885LMNA 1965/4885

“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.