SCHEMBL4551085

SCHEMBL4551085

FC(F)(F)c1cc(-c2noc(-c3sccc3Cl)n2)ccc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 15/20 1.00
NOTUM Q6P988 4/20 0.44
CYP1A2 P05177 1/20 0.44
S1PR1 P21453 1/20 0.43

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
SCHEMBL4552238 0.84 CASP3 (1.00) CASP3
SCHEMBL4421393 0.83 CASP3 (0.78) CASP3
SCHEMBL4552075 0.83 CASP3 (1.00) CASP3S1PR1
SCHEMBL4551083 0.82 CASP3 (0.80) CASP3CYP1A2S1PR1
SCHEMBL4587905 0.82 CASP3 (0.80) CASP3S1PR1
SCHEMBL4552670 0.81 CASP3 (1.00) CASP3S1PR1
SCHEMBL4552413 0.81 CASP3 (0.78) CASP3
SCHEMBL4552897 0.79 CASP3 (1.00) CASP3S1PR1
SCHEMBL4552118 0.79 CASP3 (0.78) CASP3
SCHEMBL4552210 0.78 CASP3 (1.00) CASP3

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
US-20050154012-A1 Substituted 3-aryl-5-aryl-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2005-07-14 US claimed
CN-1638776-A Substituted 3-aryl-5-aryl-[1,2,4]-oxadiazoles and analogs CYTOVIA INC (US) 2005-07-13 CN claimed
EP-1406632-A2 SUBSTITUTED 3-ARYL-5-ARYL- 1,2,4]-OXADIAZOLES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2004-04-14 EP claimed
US-20030045546-A1 Substituted 3-aryl-5-aryl-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2003-03-06 US claimed
WO-2002100826-A2 SUBSTITUTED 3-ARYL-5-ARYL-[1,2,4]-OXADIAZOLES AND ANALOGS CYTOVIA, INC. (US) 2002-12-19 WO claimed
EP-1618205-A4 METHODS OF TREATING DISEASES RESPONSIVE TO INDUCTION OF APOPTOSIS AND SCREENING ASSAYS CYTOVIA INC (US) 2009-04-08 EP disclosed
US-7435750-B2 Method of using substituted 3-aryl-5-aryl-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2008-10-14 US disclosed
US-7041685-B2 Substituted 3-aryl-5-aryl-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2006-05-09 US disclosed
EP-1618205-A2 METHODS OF TREATING DISEASES RESPONSIVE TO INDUCTION OF APOPTOSIS AND SCREENING ASSAYS Cytovia, Inc. (US) 2006-01-25 EP disclosed
US-20050154012-A1 Substituted 3-aryl-5-aryl-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2005-07-14 US disclosed
CN-1638776-A Substituted 3-aryl-5-aryl-[1,2,4]-oxadiazoles and analogs CYTOVIA INC (US) 2005-07-13 CN disclosed
US-20050004005-A1 Methods of treating diseases responsive to Induction of Apoptosis CYTOVIA, INC. 2005-01-06 US disclosed
WO-2004094648-A2 METHODS OF TREATING DISEASES RESPONSIVE TO INDUCTION OF APOPTOSIS AND SCREENING ASSAYS CYTOVIA, INC. ET AL. (US) 2004-11-04 WO disclosed
EP-1406632-A2 SUBSTITUTED 3-ARYL-5-ARYL- 1,2,4]-OXADIAZOLES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2004-04-14 EP disclosed
US-20030045546-A1 Substituted 3-aryl-5-aryl-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2003-03-06 US disclosed
WO-2002100826-A2 SUBSTITUTED 3-ARYL-5-ARYL-[1,2,4]-OXADIAZOLES AND ANALOGS CYTOVIA, INC. (US) 2002-12-19 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 (3 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-20050004005-A1 Methods of treating diseases responsive to Induction of Apoptosis PDCD6IP, THUMPD1, CCAR2 CASP3 90/4885NOTUM 4028/4885CYP1A2 4835/4885
US-20030045546-A1 Substituted 3-aryl-5-aryl-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP3, CASP1, API5 CASP3 1/4885NOTUM 4156/4885CYP1A2 231/4885
US-20050154012-A1 Substituted 3-aryl-5-aryl-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP3, CASP1, CASP4 CASP3 1/4885NOTUM 4280/4885CYP1A2 301/4885

“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.