SCHEMBL407792

SCHEMBL407792

C1=CC2=Nc3ccccc3SC2=CN1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.33
BACE1 P56817 1/20 0.33
TRPA1 O75762 1/20 0.33

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
SCHEMBL28461077 0.70 BACE1 (0.33) DRD2BACE1TRPA1
SCHEMBL882180 0.70 TRPA1 (0.36) DRD2BACE1TRPA1
SCHEMBL28807038 0.69 BACE1 (0.33) DRD2BACE1TRPA1
SCHEMBL11148071 0.68 GPR84 (0.33) TRPA1
SCHEMBL27662416 0.68 BACE1 (0.35) BACE1TRPA1
SCHEMBL27930103 0.68 BACE1 (0.35) BACE1TRPA1
SCHEMBL10959565 0.68 BACE1 (0.32) BACE1TRPA1
SCHEMBL2851413 0.67 BACE1 (0.34) DRD2BACE1TRPA1
SCHEMBL27930647 0.66 BACE1 (0.31) BACE1
SCHEMBL28206346 0.66 BACE1 (0.31) BACE1

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 DRD2 3404/4885BACE1 50/4885TRPA1 2757/4885
US-20070155718-A1 Caspase inhibitor prodrugs CASP1, CASP5, CASP2 DRD2 3942/4885BACE1 16/4885TRPA1 856/4885
US-20080311051-A1 Caspase-2 Inhibitors And Their Biological Applications CASP1, CASP2, CASP9 DRD2 4035/4885BACE1 22/4885TRPA1 3338/4885
US-20080015172-A1 CASPASE INHIBITORS AND USES THEREOF CASP1, CASP2, CASP9 DRD2 2110/4885BACE1 56/4885TRPA1 1576/4885
US-20110144074-A1 CASPASE INHIBITORS AND USES THEREOF CASP1, CASP2, CASP9 DRD2 2124/4885BACE1 54/4885TRPA1 1625/4885
US-20040053920-A1 Carbamate caspase inhibitors and uses thereof CASP1, CASP2, CASP3 DRD2 3404/4885BACE1 50/4885TRPA1 2757/4885
US-20090215736-A1 CASPASE INHIBITORS AND USES THEREOF CASP1, CASP2, CASP9 DRD2 2124/4885BACE1 54/4885TRPA1 1625/4885
US-20030092703-A1 Caspase inhibitors and uses thereof CASP1, CASP2, CASP3 DRD2 2651/4885BACE1 38/4885TRPA1 2910/4885

“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.