SCHEMBL206433

SCHEMBL206433

CCCCCCCCOc1ccc(Nc2nc(Cc3ccc(F)c(F)c3)cs2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 2/20 0.45
CACNA1H O95180 2/20 0.45
CACNA1I Q9P0X4 2/20 0.45
MAPT P10636 7/20 0.42
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 4/20 0.40
ALDH1A1 P00352 3/20 0.40
TP53 P04637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
RECQL P46063 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CA12 O43570 4/20 0.39
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39

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
SCHEMBL206878 0.89 MAPT (0.44) MAPTADRB2ADRB1ADRB3MEN1
SCHEMBL207376 0.87 CACNA1G (0.44) CACNA1GCACNA1HCACNA1IMAPTADRB2
SCHEMBL206073 0.87 ADRB2 (0.42) MAPTADRB2ADRB1ADRB3MEN1
SCHEMBL249615 0.87 MAPT (0.49) MAPTADRB2ADRB1ADRB3MEN1
SCHEMBL207085 0.85 PTGS2 (0.47) MAPTADRB2ADRB1ADRB3MEN1
SCHEMBL2697797 0.84 ADRB2 (0.51) MAPTADRB2ADRB1ADRB3MEN1
SCHEMBL205536 0.84 S1PR1 (0.43) CACNA1GCACNA1HCACNA1IMAPTADRB2
SCHEMBL205571 0.83 S1PR1 (0.42) CACNA1GCACNA1HCACNA1IMAPTADRB2
SCHEMBL2699068 0.82 CACNA1G (0.45) CACNA1GCACNA1HCACNA1IMAPTADRB2
SCHEMBL206705 0.82 ALOX5 (0.54) MAPTMEN1KMT2AGAAALDH1A1

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-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
US-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
US-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
US-20070004711-A1 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. 2007-01-04 US disclosed
US-20070004711-A1 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. 2007-01-04 US disclosed
US-20070004711-A1 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. 2007-01-04 US 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 (2 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-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE PIGS, CPT1A, SLC10A1 CACNA1G 2442/4885CACNA1H 3057/4885CACNA1I 1877/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 CACNA1G 2442/4885CACNA1H 3057/4885CACNA1I 1877/4885

“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.