SCHEMBL249954

SCHEMBL249954

CCCCCCCCOc1ccc(Nc2nc(CN3CCCC(C(=O)O)C3)cs2)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 12/20 0.64
S1PR1 P21453 7/20 0.50
S1PR3 Q99500 5/20 0.50
MAPT P10636 4/20 0.42
GAA P10253 3/20 0.42
ALDH1A1 P00352 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
S1PR4 O95977 1/20 0.41
CTPS1 P17812 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL205686 0.87 LMNA (0.49) S1PR5ALDH1A1LMNA
SCHEMBL248422 0.86 S1PR5 (0.49) S1PR5S1PR1S1PR3MAPTGAA
SCHEMBL205155 0.84 S1PR5 (0.47) S1PR5S1PR1MAPTALDH1A1S1PR4
SCHEMBL2695458 0.84 S1PR5 (0.52) S1PR5S1PR1S1PR3MAPTGAA
SCHEMBL251744 0.84 SPHK1 (0.47) S1PR5S1PR1S1PR3MAPTGAA
SCHEMBL251973 0.82 MAPT (0.52) S1PR5MAPTGAAALDH1A1NPC1
SCHEMBL250502 0.82 RAB9A (0.54) S1PR5MAPTGAAALDH1A1NPC1
SCHEMBL205512 0.81 HRH3 (0.45) S1PR5MAPTALDH1A1NPC1RAB9A
SCHEMBL207070 0.81 HRH3 (0.42) S1PR5MAPTNPC1RAB9ACTPS1
SCHEMBL250489 0.81 SPHK1 (0.45) S1PR5MAPTGAAALDH1A1NPC1

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 1259/4885S1PR3 1488/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 S1PR5 2976/4885S1PR1 1259/4885S1PR3 1488/4885

“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.