SCHEMBL303807

SCHEMBL303807

CCCCCCCCCCCCCCCCCCCCS([O])(=O)=O

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.59
CA2 P00918 6/20 0.52
TSHR P16473 1/20 0.47
THRB P10828 1/20 0.47
CES1 P23141 5/20 0.42
CES2 O00748 2/20 0.42

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
SCHEMBL547132 1.00 FAAH (0.59) FAAHCA2TSHRTHRBCES1
SCHEMBL77261 1.00 FAAH (0.59) FAAHCA2TSHRTHRBCES1
SCHEMBL304723 1.00 FAAH (0.59) FAAHCA2TSHRTHRBCES1
SCHEMBL546219 1.00 FAAH (0.59) FAAHCA2TSHRTHRBCES1
SCHEMBL296297 1.00 FAAH (0.59) FAAHCA2TSHRTHRBCES1
SCHEMBL4880167 1.00 FAAH (0.59) FAAHCA2TSHRTHRBCES1
SCHEMBL77270 1.00 FAAH (0.59) FAAHCA2TSHRTHRBCES1
SCHEMBL4880544 1.00 FAAH (0.59) FAAHCA2TSHRTHRBCES1
SCHEMBL301132 1.00 FAAH (0.59) FAAHCA2TSHRTHRBCES1
SCHEMBL303667 1.00 FAAH (0.59) FAAHCA2TSHRTHRBCES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9255070-B2 Method of deuteration using mixed catalyst WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2016-02-09 US disclosed
US-8093422-B2 Method for deuteration of an aromatic ring WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-01-10 US disclosed
US-7517990-B2 Method for deuteration of a heterocyclic ring WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2009-04-14 US disclosed
US-20080234488-A1 Method of Deuteration Using Mixed Catalyst WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2008-09-25 US disclosed
US-20070255076-A1 Method for Deuteration of an Aromatic Ring WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2007-11-01 US disclosed
EP-1707548-A1 METHOD OF DEUTERATION USING MIXED CATALYST Wako Pure Chemical Industries, Ltd. (JP) 2006-10-04 EP disclosed
US-20060025596-A1 Method for deuteration or tritiation of heterocyclic ring FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2006-02-02 US disclosed
EP-1561741-A1 METHOD FOR DEUTERATION OR TRITIATION OF HETEROCYCLIC RING Wako Pure Chemical Industries, Ltd. (JP) 2005-08-10 EP disclosed
EP-1535889-A1 METHOD OF DEUTERATING AROMATIC RING Wako Pure Chemical Industries, Ltd. (JP) 2005-06-01 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 (3 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-20060025596-A1 Method for deuteration or tritiation of heterocyclic ring HRH2, HRH4, HDHD5 FAAH 230/4885CA2 1154/4885TSHR 1299/4885
US-20080234488-A1 Method of Deuteration Using Mixed Catalyst HDHD5, DHX35, HRH3 FAAH 1707/4885CA2 1953/4885TSHR 2222/4885
US-20070255076-A1 Method for Deuteration of an Aromatic Ring HRH3, HRH4, AHR FAAH 966/4885CA2 2529/4885TSHR 2185/4885

“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.