SCHEMBL407793

SCHEMBL407793

c1ccc2c(c1)Nc1ccncc1S2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 1.00
GAA P10253 7/20 1.00
L3MBTL1 Q9Y468 3/20 1.00
IDO1 P14902 1/20 1.00
NOX1 Q9Y5S8 10/20 0.65
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
SNCA P37840 3/20 0.65
ALOX15 P16050 3/20 0.65
CYP1A2 P05177 3/20 0.65
BCHE P06276 2/20 0.65
ACHE P22303 2/20 0.65
TDP1 Q9NUW8 2/20 0.65
CYP3A4 P08684 2/20 0.65
POLB P06746 1/20 0.65
ADORA3 P0DMS8 1/20 0.65
ALOX12 P18054 1/20 0.65
MAOA P21397 1/20 0.65
CNR1 P21554 1/20 0.65
PTGS1 P23219 1/20 0.65

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
SCHEMBL12396548 0.90 GAA (0.81) MAPTGAAL3MBTL1IDO1NOX1
SCHEMBL7888523 0.89 MAPT (0.79) MAPTGAAL3MBTL1IDO1NOX1
Phenothiazine SCHEMBL27881746 0.84 NOX1 (0.77) MAPTGAAL3MBTL1IDO1NOX1
Phenothiazine SCHEMBL29352248 0.81 NOX1 (1.00) MAPTGAAL3MBTL1IDO1NOX1
Phenothiazine SCHEMBL6315328 0.81 NOX1 (1.00) MAPTGAAL3MBTL1IDO1NOX1
Phenothiazine SCHEMBL29349533 0.81 NOX1 (1.00) MAPTGAAL3MBTL1IDO1NOX1
Phenothiazine SCHEMBL2504207 0.81 NOX1 (1.00) MAPTGAAL3MBTL1IDO1NOX1
Phenothiazine SCHEMBL9114 0.81 NOX1 (1.00) MAPTGAAL3MBTL1IDO1NOX1
Phenothiazine SCHEMBL30330193 0.80 NOX1 (0.71) MAPTGAAL3MBTL1IDO1NOX1
Phenothiazine SCHEMBL28577557 0.80 NOX1 (0.71) MAPTGAAL3MBTL1IDO1NOX1

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910379-B1 CASPASE INHIBITOR PRODRUGS VERTEX PHARMA (US) 2011-10-19 EP claimed
US-20110144074-A1 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-16 US claimed
US-7879891-B2 such as (S)-Carbazole-9-carboxylic acid 1-(3a-fluoromethyl-5-oxo-3a,5,6,6a-tetrahydro-furo[3,2-d]oxazol-2-yl)-2-methyl-propyl ester, used for the treatment of diseases related to inflammatory or degenerative conditions VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-02-01 US claimed
US-20090215736-A1 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS, INCORPORATED (US) 2009-08-27 US claimed
US-20080311051-A1 Caspase-2 Inhibitors And Their Biological Applications THERAPTOSIS SA (FR) 2008-12-18 US claimed
US-7442790-B2 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS, INCORPORATED (US) 2008-10-28 US claimed
EP-1923386-A2 Carbamate caspase inhibitors and uses thereof Vertex Pharmceuticals Incorporated (US) 2008-05-21 EP claimed
EP-1268425-B1 CARBAMATE CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMA (US) 2008-01-23 EP claimed
US-20080015172-A1 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 US claimed
US-20070155718-A1 Caspase inhibitor prodrugs VERTEX PHARMACEUTICALS INCORPORATED 2007-07-05 US claimed
EP-1740614-A2 CASPASE-2 INHIBITORS AND THEIR BIOLOGICAL APPLICATIONS Theraptosis S.A. (FR) 2007-01-10 EP claimed
US-7074782-B2 Carbamate caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-07-11 US claimed
WO-2005105829-A2 CASPASE-2 INHIBITORS AND THEIR BIOLOGICAL APPLICATIONS THERAPTOSIS S.A. (FR) 2005-11-10 WO claimed
US-20040053920-A1 Carbamate caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2004-03-18 US claimed
EP-1392289-A2 CASPASE INHIBITORS AND USES THEREOF Vertex Pharmaceuticals Incorporated (US) 2004-03-03 EP claimed
US-20030092703-A1 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2003-05-15 US claimed
EP-1268425-A2 CARBAMATE CASPASE INHIBITORS AND USES THEREOF Vertex Pharmaceuticals Incorporated (US) 2003-01-02 EP claimed
WO-2002094263-A2 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-11-28 WO claimed
US-20020028803-A1 Carbamate caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2002-03-07 US claimed
WO-2001072707-A2 CARBAMATE CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2001-10-04 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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-20020028803-A1 Carbamate caspase inhibitors and uses thereof CASP1, CASP2, CASP3 MAPT 4419/4885GAA 3111/4885L3MBTL1 393/4885
US-20070155718-A1 Caspase inhibitor prodrugs CASP1, CASP5, CASP2 MAPT 1365/4885GAA 800/4885L3MBTL1 1221/4885
US-20080311051-A1 Caspase-2 Inhibitors And Their Biological Applications CASP1, CASP2, CASP9 MAPT 3990/4885GAA 1060/4885L3MBTL1 90/4885
US-20080015172-A1 CASPASE INHIBITORS AND USES THEREOF CASP1, CASP2, CASP9 MAPT 4560/4885GAA 4138/4885L3MBTL1 275/4885
US-20110144074-A1 CASPASE INHIBITORS AND USES THEREOF CASP1, CASP2, CASP9 MAPT 4550/4885GAA 4099/4885L3MBTL1 330/4885
US-20040053920-A1 Carbamate caspase inhibitors and uses thereof CASP1, CASP2, CASP3 MAPT 4419/4885GAA 3111/4885L3MBTL1 393/4885
US-20090215736-A1 CASPASE INHIBITORS AND USES THEREOF CASP1, CASP2, CASP9 MAPT 4550/4885GAA 4099/4885L3MBTL1 330/4885
US-20030092703-A1 Caspase inhibitors and uses thereof CASP1, CASP2, CASP3 MAPT 4629/4885GAA 3199/4885L3MBTL1 375/4885

“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.