SCHEMBL1678491

SCHEMBL1678491

CCCCC[CH]S(C)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
FAAH O00519 5/20 0.41
TRPV1 Q8NER1 2/20 0.41
PPARA Q07869 2/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL21616869 0.97 TSHR (0.50) TSHRFAAHTRPV1PPARA
SCHEMBL5074183 0.97 TSHR (0.50) TSHRFAAHTRPV1PPARA
SCHEMBL322670 0.97 TSHR (0.50) TSHRFAAHTRPV1PPARA
SCHEMBL7860226 0.97 TSHR (0.50) TSHRFAAHTRPV1PPARA
SCHEMBL1678870 0.92
SCHEMBL3034952 0.79 TSHR (0.46) TSHRFAAHTRPV1PPARAALDH1A1
SCHEMBL266229 0.77 TSHR (0.44) TSHRFAAHTRPV1PPARA
SCHEMBL700497 0.75 TSHR (0.48) TSHRFAAHTRPV1PPARA
SCHEMBL699652 0.75 TSHR (0.48) TSHRFAAHTRPV1PPARA
SCHEMBL3033922 0.75 ALDH1A1 (0.43) TSHRFAAHTRPV1PPARAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1185302-B1 SPECIFICALLY TARGETED CATALYTIC ANTAGONISTS AND USES THEREOF GENENCOR INT (US) 2013-07-24 EP disclosed
US-8431121-B2 Specifically targeted catalytic antagonists and uses thereof DANISCO US INC. (US) 2013-04-30 US disclosed
US-20110262419-A1 SPECIFICALLY TARGETED CATALYTIC ANTAGONISTS AND USES THEREOF DANISCO US, INC. (US) 2011-10-27 US disclosed
US-7923573-B2 Benzene compound having 2 or more substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-12 US disclosed
US-20080255111-A1 Tissue Factor Production Inhibitor SANKYO COMPANY LIMITED (JP) 2008-10-16 US disclosed
US-20080004301-A1 Benzene Compound Having 2 or More Substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-01-03 US disclosed
EP-1806332-A1 BENZENE COMPOUND HAVING 2 OR MORE SUBSTITUENTS Daiichi Sankyo Company, Limited (JP) 2007-07-11 EP disclosed
EP-1764075-A1 TISSUE FACTOR PRODUCTION INHIBITOR Sankyo Company, Limited (JP) 2007-03-21 EP disclosed
US-20050143453-A1 Selective preventing and therapeutic agents for progressive lesion after organic damage ISHIBASHI MICHIO (JP) 2005-06-30 US disclosed
US-6878745-B2 Selective preventives/remedies for progressive lesions after organ damage Ishibashi, Michio (JP) 2005-04-12 US disclosed
US-20040170618-A1 antagonists bind to a recognized target (e.g., a receptor); the enzyme component of the chimera then degrades the target resulting in a reduction of activity of the target and release of the chimeric molecule, which is then free to attack and degrade another target molecule. DAVIS BENJAMIN G (GB) 2004-09-02 US disclosed
US-20030181506-A1 Selective preventives/remedies for progressive lesions after organ damage ISHIBASHI, MICHIO (JP) 2003-09-25 US disclosed
EP-1277747-A1 SELECTIVE PREVENTIVES/REMEDIES FOR PROGRESSIVE LESIONS AFTER ORGAN DAMAGE Ishibashi, Michio (JP) 2003-01-22 EP disclosed
EP-1185302-A2 SPECIFICALLY TARGETED CATALYTIC ANTAGONISTS AND USES THEREOF GENENCOR INTERNATIONAL, INC. (US) 2002-03-13 EP disclosed
WO-2000064485-A9 SPECIFICALLY TARGETED CATALYTIC ANTAGONISTS AND USES THEREOF GENENCOR INT (US) 2001-07-19 WO disclosed
WO-2000064485-A2 SPECIFICALLY TARGETED CATALYTIC ANTAGONISTS AND USES THEREOF GENENCOR INTERNATIONAL, INC. (US) 2000-11-02 WO 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 (6 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-20030181506-A1 Selective preventives/remedies for progressive lesions after organ damage CCL11, CD68, CCL2 TSHR 3380/4885FAAH 2777/4885TRPV1 1237/4885
US-20110262419-A1 SPECIFICALLY TARGETED CATALYTIC ANTAGONISTS AND USES THEREOF ENGASE, GAA, DNPEP TSHR 1053/4885FAAH 436/4885TRPV1 2423/4885
US-20080255111-A1 Tissue Factor Production Inhibitor PTAFR, PLAT, TFPI TSHR 594/4885FAAH 2718/4885TRPV1 3360/4885
US-20050143453-A1 Selective preventing and therapeutic agents for progressive lesion after organic damage CD68, MSR1, CCL2 TSHR 3555/4885FAAH 1761/4885TRPV1 864/4885
US-20040170618-A1 antagonists bind to a recognized target (e.g., a receptor); the enzyme component of the chimera then degrades the target resulting in a reduction of activity of the target and release of the chimeric molecule, which is then free to attack and degrade another target molecule. ENGASE, GPR84, ADGRF1 TSHR 516/4885FAAH 484/4885TRPV1 1842/4885
US-20080004301-A1 Benzene Compound Having 2 or More Substituents NR1H2, NR1H3, NCOR2 TSHR 47/4885FAAH 1410/4885TRPV1 2762/4885

“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.