SCHEMBL6160316

SCHEMBL6160316

CCCC(=O)SC1CCC(=O)N1Cc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 10/20 0.53
HCRTR1 O43613 9/20 0.53
PTGER1 P34995 1/20 0.40
PTGER4 P35408 1/20 0.40
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL6157789 0.91 HCRTR2 (0.54) HCRTR2HCRTR1ALOX15TSHRKMT2A
SCHEMBL6160370 0.90 HCRTR1 (0.51) HCRTR2HCRTR1PTGER1PTGER4HDAC1
SCHEMBL6162691 0.89 HCRTR2 (0.48) HCRTR2HCRTR1PTGER1PTGER4KMT2A
SCHEMBL6158510 0.87 HCRTR1 (0.52) HCRTR2HCRTR1PTGER1PTGER4ALOX15
SCHEMBL6157886 0.85 HCRTR2 (0.49) HCRTR2HCRTR1ALOX15TSHRKMT2A
SCHEMBL6162062 0.84 HCRTR1 (0.56) HCRTR2HCRTR1HDAC1HDAC6
SCHEMBL6158308 0.83 HCRTR1 (0.53) HCRTR2HCRTR1TSHRKMT2AHDAC1
SCHEMBL6161039 0.83 HCRTR1 (0.53) HCRTR2HCRTR1ALOX15TSHRKMT2A
SCHEMBL6160749 0.83 HCRTR2 (0.53) HCRTR2HCRTR1KMT2AMEN1GAA
SCHEMBL6161816 0.83 HCRTR1 (0.48) HCRTR2HCRTR1ALOX15TSHRKMT2A

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 HCRTR2 1842/4885HCRTR1 1949/4885PTGER1 715/4885
US-20040157894-A1 Thiol compounds, their production and use TST, SULT1E1, QSOX1 HCRTR2 1754/4885HCRTR1 1930/4885PTGER1 666/4885

“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.