SCHEMBL3747531

SCHEMBL3747531

CCOC(=O)c1c(N)sc2c1CCS2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.63
MAPT P10636 11/20 0.63
GAA P10253 8/20 0.63
KDM4E B2RXH2 4/20 0.63
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
HPGD P15428 9/20 0.59
HSD17B10 Q99714 4/20 0.59
ALOX15 P16050 3/20 0.59
MAPK1 P28482 2/20 0.59
POLB P06746 1/20 0.57
RECQL P46063 1/20 0.57
RXFP1 Q9HBX9 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
ADORA1 P30542 3/20 0.54
FHIT P49789 1/20 0.54
TSHR P16473 1/20 0.53
ALOX12 P18054 1/20 0.53

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
SCHEMBL20344326 0.79 GRM6 (0.43) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL13155088 0.79 ALDH1A1 (0.46) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL3499288 0.77 MAPT (1.00) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL7540382 0.75 ALDH1A1 (0.59) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL223094 0.75 ALDH1A1 (1.00) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL1976488 0.75 MAPT (0.94) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL133642 0.75 MAPT (1.00) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL8203239 0.74 MAPT (0.72) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL4090734 0.73 ALDH1A1 (0.97) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL1887318 0.73 ALDH1A1 (0.97) ALDH1A1MAPTGAAKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338623-B2 N-{3-[(2,5-dimethylmorpholin-4-yl)carbonyl]-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl}hexahydro-2,5-methanopentalene-3a(1H)-carboxamide; CB2 receptors ligand; antiinflammatory, analgesic agent; autoimmune diseases; neuroprotectants ABBVIE INC. (US) 2012-12-25 US disclosed
US-20100249102-A1 Heterotricyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDINGS, INC. (US) 2010-09-30 US disclosed
US-20100249102-A1 Heterotricyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDINGS, INC. (US) 2010-09-30 US disclosed
US-7749996-B2 Heterotricyclic metalloprotease inhibitors Alantos Pharmaceutical Holdings, Inc. (US) 2010-07-06 US disclosed
US-7749996-B2 Heterotricyclic metalloprotease inhibitors Alantos Pharmaceutical Holdings, Inc. (US) 2010-07-06 US disclosed
EP-2176219-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2010-04-21 EP disclosed
US-20100087420-A1 Heterotricyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDINGS, INC. (US) 2010-04-08 US disclosed
US-20100087420-A1 Heterotricyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDINGS, INC. (US) 2010-04-08 US disclosed
WO-2009009550-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-01-15 WO disclosed
US-20090018114-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-01-15 US disclosed
US-20080207607-A1 Heterotricyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-08-28 US disclosed
US-20080207607-A1 Heterotricyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-08-28 US disclosed
WO-2008063667-A1 HETEROTRICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-05-29 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 (4 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-20100087420-A1 Heterotricyclic Metalloprotease Inhibitors MMP13, MMP3, TIMP3 ALDH1A1 1908/4885MAPT 3878/4885GAA 286/4885
US-20090018114-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 ALDH1A1 1504/4885MAPT 2527/4885GAA 4164/4885
US-20100249102-A1 Heterotricyclic Metalloprotease Inhibitors MMP13, MMP3, TIMP3 ALDH1A1 1908/4885MAPT 3878/4885GAA 286/4885
US-20080207607-A1 Heterotricyclic metalloprotease inhibitors MMP13, MMP3, TIMP3 ALDH1A1 1908/4885MAPT 3878/4885GAA 286/4885

“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.