SCHEMBL6159419

SCHEMBL6159419

O=C(O)c1ccc(CSC2CCC(=O)N2Cc2ccc(Oc3ccccc3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 8/20 0.51
HCRTR1 O43613 3/20 0.51
HCRTR2 O43614 3/20 0.51
SRD5A2 P31213 2/20 0.50
PTPRF P10586 1/20 0.44
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPRB P23467 1/20 0.44
ACP1 P24666 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL6159348 0.89 HCRTR1 (0.53) LTA4HHCRTR1HCRTR2KMT2AHDAC1
SCHEMBL6159008 0.84 HCRTR1 (0.55) LTA4HHCRTR1HCRTR2SRD5A2KMT2A
SCHEMBL6157202 0.82 HCRTR1 (0.53) LTA4HHCRTR1HCRTR2SRD5A2HDAC1
SCHEMBL6162062 0.81 HCRTR1 (0.56) LTA4HHCRTR1HCRTR2HDAC1HDAC6
SCHEMBL6158533 0.81 HCRTR1 (0.49) LTA4HHCRTR1HCRTR2HDAC1HDAC6
SCHEMBL6159473 0.79 HCRTR1 (0.53) LTA4HHCRTR1HCRTR2KMT2AHDAC1
SCHEMBL6160127 0.79 HCRTR1 (0.52) HCRTR1HCRTR2KMT2A
SCHEMBL6158510 0.79 HCRTR1 (0.52) LTA4HHCRTR1HCRTR2SRD5A2KMT2A
SCHEMBL6158582 0.79 HCRTR1 (0.52) LTA4HHCRTR1HCRTR2SRD5A2HDAC1
SCHEMBL6157789 0.79 HCRTR2 (0.54) LTA4HHCRTR1HCRTR2KMT2AHDAC1

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 4 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
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 (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-20040157894-A1 Thiol compounds, their production and use TST, SULT1E1, QSOX1 LTA4H 1646/4885HCRTR1 1930/4885HCRTR2 1754/4885

“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.