SCHEMBL205155

SCHEMBL205155

CCCCCOc1ccc(Nc2nc(CN3CCCC(C(=O)O)C3)cs2)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 6/20 0.47
S1PR1 P21453 6/20 0.43
SLC6A1 P30531 1/20 0.40
SPHK2 Q9NRA0 2/20 0.39
ADRA2B P18089 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
S1PR4 O95977 1/20 0.37
DDR1 Q08345 1/20 0.36
MPL P40238 1/20 0.36
BCHE P06276 1/20 0.36
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL205226 0.91 S1PR1 (0.45) S1PR5S1PR1SPHK2MPLALDH1A1
SCHEMBL248422 0.90 S1PR5 (0.49) S1PR5S1PR1SLC6A1ADRA2BSLC6A4
SCHEMBL251181 0.89 LMNA (0.43) S1PR1SPHK2ADRA2BSLC6A4SLC6A3
SCHEMBL205648 0.87 S1PR1 (0.46) S1PR5S1PR1SPHK2MPLALDH1A1
SCHEMBL205790 0.87 S1PR1 (0.44) S1PR1SPHK2ALDH1A1MAPT
SCHEMBL206869 0.87 S1PR1 (0.44) S1PR1SPHK2ALDH1A1MAPT
SCHEMBL206328 0.87 S1PR1 (0.44) S1PR1SPHK2ALDH1A1MAPT
SCHEMBL205942 0.86 CDK4 (0.41) S1PR5S1PR1SPHK2S1PR4ALDH1A1
SCHEMBL204378 0.86 S1PR1 (0.42) S1PR5S1PR1SPHK2S1PR4ALDH1A1
SCHEMBL2696943 0.85 S1PR1 (0.39) S1PR1SPHK2DDR1

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 S1PR5 2976/4885S1PR1 1259/4885SLC6A1 515/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 S1PR5 2976/4885S1PR1 1259/4885SLC6A1 515/4885

“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.