SCHEMBL4276909

SCHEMBL4276909

CC1(C)C=C(c2nccs2)C(=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.38
GABRG2 P18507 5/20 0.38
GABRB3 P28472 5/20 0.38
GABRA5 P31644 5/20 0.38
GABRA3 P34903 5/20 0.38
GABRA2 P47869 5/20 0.38
PDPK1 O15530 1/20 0.36
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
LRRK2 Q5S007 1/20 0.34
GABRG3 Q99928 1/20 0.34
ADRB2 P07550 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
EEF2K O00418 1/20 0.32
ADORA1 P30542 4/20 0.32
ADORA2A P29274 3/20 0.31
ALDH1A1 P00352 2/20 0.31
GAA P10253 1/20 0.31
POLB P06746 1/20 0.30
ADORA3 P0DMS8 2/20 0.30

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
SCHEMBL4276421 0.73
SCHEMBL4273167 0.73 GABRA1 (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL27121057 0.71 PDPK1 (0.37) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4270415 0.70 ALDH1A1 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4273595 0.69 NISCH (0.34) ALDH1A1
SCHEMBL4273457 0.69 GABRA1 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4265409 0.69 KDM4E (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2052309 0.68 PDPK1 (0.34) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4271580 0.68 CDC7 (0.38)
SCHEMBL4269480 0.67 RAB9A (0.47) ALDH1A1GAA

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-7605183-B2 Inhibitory or blocking agents of molecular generating and/or inducing functions KOYAMA SHOZO 2009-10-20 US disclosed
US-20080200558-A1 Inhibitory or blocking agents of molecular generating and/or/ inducing functions KOYAMA SHOZO 2008-08-21 US disclosed
US-20070066654-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions KOYAMA SHOZO 2007-03-22 US disclosed
EP-0780122-B1 DEPRESSANT OF FUNCTIONS DEVELOPED BY MOLECULE KOYAMA SHOZO (JP) 2006-11-22 EP disclosed
US-20040224926-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions KOYAMA SHOZO (JP) 2004-11-11 US disclosed
US-6710090-B2 A CYCLOHEX-1-EN-2-ONE COMPOUND KOYAMA SHOZO (JP) 2004-03-23 US disclosed
US-20020165206-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions KOYAMA SHOZO (JP) 2002-11-07 US disclosed
US-6346551-B1 ANTIBACTERIAL, ANTIFUNGAL, ANTIVIRAL, BACTERICIDAL AND/OR STERILIZATION AGENTS, ANTICANCER DRUGS, BLOOD COAGULATION AND FIBRINOLYSIS INHIBITORS AND/OR BLOCKING AGENTS, INHIBITORY AND/OR BLOCKING AGENTS OF ANTIGEN-ANTIBODY REACTIONS KOYAMA SHOZO (JP) 2002-02-12 US disclosed
EP-0780122-A1 DEPRESSANT OF FUNCTIONS DEVELOPED BY MOLECULE Koyama, Shozo (JP) 1997-06-25 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 (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-20070066654-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD47, SERPINB6, CD74 GABRA1 311/4885GABRG2 172/4885GABRB3 205/4885
US-20020165206-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD69, TFPI, SERPINE1 GABRA1 3521/4885GABRG2 4477/4885GABRB3 4382/4885
US-20040224926-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD47, MCL1, CD74 GABRA1 191/4885GABRG2 186/4885GABRB3 237/4885
US-20080200558-A1 Inhibitory or blocking agents of molecular generating and/or/ inducing functions CD47, MCL1, BAK1 GABRA1 301/4885GABRG2 147/4885GABRB3 162/4885

“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.