SCHEMBL6159990

SCHEMBL6159990

O=C(S)C[C@H]1CCN(Cc2ccc(Oc3ccccc3)cc2)C(=O)C1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.44
CHRM4 P08173 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
EGLN1 Q9GZT9 1/20 0.43
LTA4H P09960 2/20 0.43
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
MMP7 P09237 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
FAAH O00519 2/20 0.41
HCRTR1 O43613 2/20 0.41
HCRTR2 O43614 2/20 0.41
FFAR1 O14842 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
SCHEMBL6157857 0.83 HCRTR1 (0.44) HRH3CHRM4EGLN1LTA4HMMP1
SCHEMBL6157431 0.82 HRH3 (0.45) HRH3CHRM4EGLN1LTA4HFAAH
SCHEMBL6158991 0.81 SMN1; SMN2 (0.46) LMNASMN1; SMN2FFAR1
SCHEMBL6157901 0.78 HCRTR1 (0.44) HRH3EGLN1LTA4HFAAHHCRTR1
SCHEMBL6159991 0.77 HRH3 (0.42) HRH3ALDH1A1LMNASMN1; SMN2EGLN1
SCHEMBL6158698 0.74 HPGD (0.54) HRH3SMN1; SMN2EGLN1HCRTR1HCRTR2
SCHEMBL6159065 0.74 HPGD (0.50) SMN1; SMN2EGLN1LTA4HMMP1MMP2
SCHEMBL6159347 0.74 HRH3 (0.47) HRH3ALDH1A1LMNASMN1; SMN2EGLN1
SCHEMBL6157539 0.74 HPGD (0.50) SMN1; SMN2EGLN1LTA4HMMP1MMP2
SCHEMBL6158783 0.74 HRH3 (0.47) HRH3EGLN1LTA4HFAAHHCRTR1

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 HRH3 505/4885CHRM4 1594/4885ALDH1A1 905/4885
US-20040157894-A1 Thiol compounds, their production and use TST, SULT1E1, QSOX1 HRH3 463/4885CHRM4 1254/4885ALDH1A1 877/4885

“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.