SCHEMBL251744

SCHEMBL251744

CCCCCCCCOc1ccc(Nc2nc(CN3CCC(O)C3)cs2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP2D6 P10635 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
S1PR5 Q9H228 7/20 0.45
CDK4 P11802 2/20 0.44
CDK6 Q00534 2/20 0.44
PDE10A Q9Y233 1/20 0.43
MAPT P10636 2/20 0.42
CTPS1 P17812 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
SPHK2 Q9NRA0 1/20 0.40
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA9 Q16790 3/20 0.39
GAA P10253 1/20 0.39
S1PR1 P21453 1/20 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
SCHEMBL250502 0.94 RAB9A (0.54) SPHK1MEN1ALDH1A1CYP2D6RAB9A
SCHEMBL205512 0.88 HRH3 (0.45) SPHK1MEN1ALDH1A1CYP2D6RAB9A
SCHEMBL207070 0.87 HRH3 (0.42) SPHK1RAB9AS1PR5MAPTCTPS1
SCHEMBL250489 0.87 SPHK1 (0.45) SPHK1MEN1ALDH1A1CYP2D6RAB9A
SCHEMBL205686 0.86 LMNA (0.49) ALDH1A1S1PR5HRH3
SCHEMBL2695458 0.85 S1PR5 (0.52) ALDH1A1RAB9AS1PR5MAPTCTPS1
SCHEMBL2698483 0.85 CDK4 (0.44) SPHK1MEN1ALDH1A1CYP2D6RAB9A
SCHEMBL249954 0.84 S1PR5 (0.64) MEN1ALDH1A1RAB9AKMT2AS1PR5
SCHEMBL251973 0.83 MAPT (0.52) MEN1ALDH1A1CYP2D6RAB9AKMT2A
SCHEMBL205942 0.83 CDK4 (0.41) SPHK1MEN1ALDH1A1CYP2D6KMT2A

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 SPHK1 3353/4885MEN1 3862/4885ALDH1A1 109/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 SPHK1 3353/4885MEN1 3862/4885ALDH1A1 109/4885

“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.