SCHEMBL6162322

SCHEMBL6162322

CS(=O)(=O)OC1CC(=O)N(Cc2ccc(Oc3ccc(F)cc3)nc2)C1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 4/20 0.45
MLNR O43193 4/20 0.42
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 1/20 0.40
HSPB1 P04792 1/20 0.39
CYP2D6 P10635 1/20 0.39
MMP13 P45452 6/20 0.39
TP53 P04637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 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
SCHEMBL6161048 1.00 EGLN1 (0.45) EGLN1MLNRHCRTR1HCRTR2ALDH1A1
SCHEMBL6393411 0.91 EGLN1 (0.45) EGLN1HCRTR1HCRTR2ALDH1A1L3MBTL1
SCHEMBL6158576 0.91 EGLN1 (0.45) EGLN1HCRTR1HCRTR2ALDH1A1L3MBTL1
SCHEMBL6166461 0.88 HTT (0.48) ALDH1A1HTTMMP13TP53KMT2A
SCHEMBL6160535 0.87 LTA4H (0.38) EGLN1HCRTR1HCRTR2ALDH1A1HTT
SCHEMBL6160543 0.87 LTA4H (0.38) EGLN1HCRTR1HCRTR2ALDH1A1HTT
SCHEMBL6160758 0.83 EGLN1 (0.51) EGLN1MLNRHCRTR1HCRTR2ALDH1A1
SCHEMBL6162075 0.81 EGLN1 (0.51) EGLN1MLNRHCRTR1HCRTR2ALDH1A1
SCHEMBL6160366 0.81 EGLN1 (0.47) EGLN1MLNRHCRTR1HCRTR2ALDH1A1
Hydrochloric Acid SCHEMBL6159472 0.80 EGLN1 (0.50) EGLN1MLNRHCRTR1HCRTR2ALDH1A1

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-20050165064-A1 Novel thiol derivative, process for producing the same and use thereof TAKEDA PHARMACEUTICALS NORTH AMERICA, INC. 2005-07-28 US disclosed
EP-1500658-A1 NOVEL THIOL DERIVATIVE, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2005-01-26 EP 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-20050165064-A1 Novel thiol derivative, process for producing the same and use thereof TST, QSOX1, MMP1 EGLN1 841/4885MLNR 4388/4885HCRTR1 2881/4885

“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.