SCHEMBL6162044

SCHEMBL6162044

CS(=O)(=O)Nc1ccc(Oc2ccc(CN3C[C@@H](O)CC3=O)cn2)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 12/20 0.40
HRH3 Q9Y5N1 1/20 0.40
LTA4H P09960 1/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
PGR P06401 1/20 0.38
MMP2 P08253 2/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
MMP14 P50281 1/20 0.37
MMP1 P03956 1/20 0.37
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
NPC1 O15118 1/20 0.37
AR P10275 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL6160543 0.89 LTA4H (0.38) EGLN1LTA4HHCRTR1HCRTR2PGR
SCHEMBL6160535 0.89 LTA4H (0.38) EGLN1LTA4HHCRTR1HCRTR2PGR
SCHEMBL6159586 0.88 LTA4H (0.41) EGLN1LTA4HHCRTR1HCRTR2PGR
SCHEMBL6159802 0.86 EGLN1 (0.40) EGLN1HRH3LTA4HHCRTR1HCRTR2
SCHEMBL6161240 0.86 EGLN1 (0.40) EGLN1HRH3LTA4HHCRTR1HCRTR2
SCHEMBL6161230 0.86 EGLN1 (0.40) EGLN1HRH3LTA4HHCRTR1HCRTR2
SCHEMBL6158889 0.84 EGLN1 (0.51) EGLN1HRH3HCRTR1HCRTR2
SCHEMBL6163855 0.83 EGLN1 (0.39) EGLN1
SCHEMBL6162365 0.82 EGLN1 (0.42) EGLN1
SCHEMBL6160758 0.82 EGLN1 (0.51) EGLN1HRH3HCRTR1HCRTR2MMP2

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 841/4885HRH3 296/4885LTA4H 718/4885

“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.