SCHEMBL6158330

SCHEMBL6158330

O=C1CC(SSC2CC(=O)N(Cc3ccc(Oc4ccccc4)cc3)C2)CN1Cc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
HCRTR1 O43613 3/20 0.43
HCRTR2 O43614 3/20 0.43
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
DPP4 P27487 1/20 0.41
CNR2 P34972 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PTPN1 P18031 1/20 0.40
GRM2 Q14416 1/20 0.40
MMP2 P08253 1/20 0.40
EGLN1 Q9GZT9 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
SCHEMBL6159525 1.00 HPGD (0.49) HPGDTSHRHCRTR1HCRTR2HTT
SCHEMBL6158326 1.00 HPGD (0.49) HPGDTSHRHCRTR1HCRTR2HTT
SCHEMBL6158859 0.90 HPGD (0.43) HPGDTSHRHCRTR1HCRTR2HTT
SCHEMBL6158788 0.90 HPGD (0.47) HPGDTSHRHCRTR1HCRTR2HTT
SCHEMBL6157836 0.89 TSHR (0.42) HPGDTSHRHCRTR1HCRTR2SMN1; SMN2
SCHEMBL6157901 0.87 HCRTR1 (0.44) HPGDTSHRHCRTR1HCRTR2CNR2
SCHEMBL6157459 0.86 SMN1; SMN2 (0.43) TSHRHCRTR1HCRTR2SMN1; SMN2KMT2A
SCHEMBL6160144 0.85 SMN1; SMN2 (0.45) HPGDTSHRHCRTR1HCRTR2HTT
SCHEMBL6158423 0.85 SMN1; SMN2 (0.45) HPGDTSHRHCRTR1HCRTR2HTT
SCHEMBL6157442 0.85 HCRTR1 (0.46) HPGDTSHRHCRTR1HCRTR2SMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6953789-B2 Thiol compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-10-11 US disclosed
US-20040157894-A1 Thiol compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-08-12 US disclosed
US-6699881-B2 MATRIX METALLOPROTEASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-03-02 US disclosed
US-20030078253-A1 Thiol compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2003-04-24 US disclosed
US-6420415-B1 Thiol compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-16 US disclosed
EP-1132379-A1 NOVEL THIOL DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND UTILIZATION THEREOF Takeda Chemical Industries, Ltd. (JP) 2001-09-12 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 (2 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-20030078253-A1 Thiol compounds, their production and use TST, QSOX1, SULT1E1 HPGD 887/4885TSHR 1971/4885HCRTR1 1949/4885
US-20040157894-A1 Thiol compounds, their production and use TST, SULT1E1, QSOX1 HPGD 793/4885TSHR 1888/4885HCRTR1 1930/4885

“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.