SCHEMBL252936

SCHEMBL252936

CCCCCCCCOc1ccc(Nc2nc(CN3CCN(C(=O)OC(C)(C)C)CC3)cs2)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.45
ALDH1A1 P00352 3/20 0.43
MAPT P10636 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ACKR3 P25106 1/20 0.43
GPR119 Q8TDV5 4/20 0.43
HRH2 P25021 7/20 0.42
HRH1 P35367 7/20 0.42
GPR4 P46093 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL10190843 0.89 MAPT (0.46) ALDH1A1MAPTKDM4ETDP1CA12
SCHEMBL2700504 0.86 GPR119 (0.42) EPHX2MAPTACKR3GPR119
SCHEMBL205301 0.85 S1PR1 (0.44) EPHX2ALDH1A1MAPTACKR3GPR119
SCHEMBL6181611 0.82 JAK2 (0.46) ALDH1A1MAPTACKR3
SCHEMBL2695458 0.82 S1PR5 (0.52) ALDH1A1MAPTKDM4ECA12CA1
SCHEMBL250502 0.81 RAB9A (0.54) ALDH1A1MAPTCA12CA1CA2
SCHEMBL253337 0.81 S1PR5 (0.41) ALDH1A1MAPTGPR119CA12CA1
SCHEMBL206404 0.81 ALDH1A1 (0.48) ALDH1A1MAPT
SCHEMBL2699863 0.81 HRH1 (0.49) ALDH1A1MAPTKDM4EHRH2HRH1
SCHEMBL205512 0.80 HRH3 (0.45) ALDH1A1MAPTKDM4ETDP1

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 EPHX2 3195/4885ALDH1A1 109/4885MAPT 2207/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 EPHX2 3195/4885ALDH1A1 109/4885MAPT 2207/4885

“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.