SCHEMBL6158769

SCHEMBL6158769

CCCCCCSS[C@@H]1CC(=O)N(Cc2ccc(Oc3ccccc3)cc2)C1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.40
HCRTR2 O43614 3/20 0.40
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
S1PR1 P21453 5/20 0.38
S1PR3 Q99500 4/20 0.38
S1PR5 Q9H228 4/20 0.38
PTPN1 P18031 1/20 0.38
LTA4H P09960 1/20 0.37
KMT2A Q03164 1/20 0.37
CCR5 P51681 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36

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
SCHEMBL6158859 0.87 HPGD (0.43) HCRTR1HCRTR2HPGDTSHRMAPK1
SCHEMBL6158330 0.84 HPGD (0.49) HCRTR1HCRTR2HPGDTSHRPTPN1
SCHEMBL6158326 0.84 HPGD (0.49) HCRTR1HCRTR2HPGDTSHRPTPN1
SCHEMBL6159525 0.84 HPGD (0.49) HCRTR1HCRTR2HPGDTSHRPTPN1
SCHEMBL6158911 0.80 LMNA (0.42) HPGDTSHRLMNAMAPK1S1PR1
SCHEMBL6158788 0.80 HPGD (0.47) HCRTR1HCRTR2HPGDTSHRKMT2A
SCHEMBL6157836 0.80 TSHR (0.42) HCRTR1HCRTR2HPGDTSHRLMNA
SCHEMBL6157459 0.77 SMN1; SMN2 (0.43) HCRTR1HCRTR2TSHRMAPK1KMT2A
SCHEMBL6158423 0.76 SMN1; SMN2 (0.45) HCRTR1HCRTR2HPGDTSHRLMNA
SCHEMBL6160144 0.76 SMN1; SMN2 (0.45) HCRTR1HCRTR2HPGDTSHRLMNA

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 HCRTR1 1949/4885HCRTR2 1842/4885HPGD 887/4885
US-20040157894-A1 Thiol compounds, their production and use TST, SULT1E1, QSOX1 HCRTR1 1930/4885HCRTR2 1754/4885HPGD 793/4885

“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.