SCHEMBL206869

SCHEMBL206869

CCCCCOc1ccc(Nc2nc(CN3CCC[C@@H]3C(=O)O)cs2)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.44
SPHK2 Q9NRA0 3/20 0.40
ENPP2 Q13822 3/20 0.39
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC6A9 P48067 4/20 0.36
SPHK1 Q9NYA1 1/20 0.36
TLR7 Q9NYK1 2/20 0.35

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
SCHEMBL206328 1.00 S1PR1 (0.44) S1PR1SPHK2ENPP2THRATHRB
SCHEMBL205790 1.00 S1PR1 (0.44) S1PR1SPHK2ENPP2THRATHRB
SCHEMBL250213 0.90 MEN1 (0.39) S1PR1ENPP2MEN1MAPTKMT2A
SCHEMBL250212 0.90 MEN1 (0.39) S1PR1ENPP2MEN1MAPTKMT2A
SCHEMBL205155 0.87 S1PR5 (0.47) S1PR1SPHK2ALDH1A1MAPT
SCHEMBL206811 0.86 S1PR1 (0.45) S1PR1SPHK2THRATHRB
SCHEMBL205226 0.86 S1PR1 (0.45) S1PR1SPHK2THRATHRBMEN1
SCHEMBL205648 0.84 S1PR1 (0.46) S1PR1SPHK2THRATHRBMEN1
SCHEMBL207106 0.83 S1PR1 (0.42) S1PR1SPHK2ENPP2THRATHRB
SCHEMBL204378 0.82 S1PR1 (0.42) S1PR1SPHK2THRATHRBMEN1

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 S1PR1 1259/4885SPHK2 4034/4885ENPP2 3243/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 S1PR1 1259/4885SPHK2 4034/4885ENPP2 3243/4885

“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.