SCHEMBL253337

SCHEMBL253337

CCCCCCCCOc1ccc(Nc2nc(CN3CCC(N(C)C(=O)OC(C)(C)C)C3)cs2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 9/20 0.41
MAPT P10636 5/20 0.39
GAA P10253 4/20 0.38
CTPS1 P17812 1/20 0.38
ALDH1A1 P00352 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
HRH3 Q9Y5N1 1/20 0.36
S1PR1 P21453 3/20 0.36
S1PR3 Q99500 2/20 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
SCHEMBL2706595 0.88 S1PR4 (0.37) S1PR5MAPTALDH1A1GPR119HRH3
SCHEMBL206548 0.88 S1PR1 (0.41) MAPTALDH1A1S1PR1
SCHEMBL207070 0.86 HRH3 (0.42) S1PR5MAPTCTPS1HRH3
SCHEMBL251744 0.81 SPHK1 (0.47) S1PR5MAPTGAACTPS1ALDH1A1
SCHEMBL252936 0.81 EPHX2 (0.45) MAPTALDH1A1GPR119CA12CA1
SCHEMBL2695458 0.80 S1PR5 (0.52) S1PR5MAPTGAACTPS1ALDH1A1
SCHEMBL250502 0.80 RAB9A (0.54) S1PR5MAPTGAACTPS1ALDH1A1
SCHEMBL249954 0.79 S1PR5 (0.64) S1PR5MAPTGAACTPS1ALDH1A1
SCHEMBL205512 0.79 HRH3 (0.45) S1PR5MAPTALDH1A1HRH3
SCHEMBL250489 0.78 SPHK1 (0.45) S1PR5MAPTGAACTPS1ALDH1A1

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 2976/4885MAPT 2207/4885GAA 1359/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 S1PR5 2976/4885MAPT 2207/4885GAA 1359/4885

“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.