SCHEMBL207262

SCHEMBL207262

O=C(O)Cc1ccc(-c2csc(Nc3ccc(OCCCC4CCCC4)c(C(F)(F)F)c3)n2)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
HDAC8 Q9BY41 2/20 0.37
HDAC1 Q13547 1/20 0.37
S1PR1 P21453 2/20 0.36
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
CASP6 P55212 1/20 0.35
KMT2A Q03164 1/20 0.35
VCP P55072 2/20 0.35
NTSR1 P30989 1/20 0.35
SPHK2 Q9NRA0 2/20 0.35
SPHK1 Q9NYA1 2/20 0.35
CFTR P13569 2/20 0.35
HPGD P15428 1/20 0.34
ROCK1 Q13464 2/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
FABP4 P15090 1/20 0.34

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
SCHEMBL204815 0.87 RORC (0.42) PRMT5WDR77HDAC8HDAC1MEN1
SCHEMBL206856 0.87 S1PR1 (0.49) PRMT5WDR77HDAC8HDAC1S1PR1
SCHEMBL208337 0.86 S1PR1 (0.51) PRMT5WDR77HDAC8HDAC1S1PR1
SCHEMBL206271 0.85 HDAC8 (0.43) PRMT5WDR77HDAC8HDAC1S1PR1
SCHEMBL208437 0.84 HDAC8 (0.38) PRMT5WDR77HDAC8HDAC1S1PR1
SCHEMBL206316 0.84 NTRK1 (0.39) PRMT5WDR77HDAC8HDAC1S1PR1
SCHEMBL209137 0.83 S1PR1 (0.39) PRMT5WDR77HDAC8HDAC1S1PR1
SCHEMBL206298 0.83 XDH (0.41) PRMT5WDR77HDAC8HDAC1VCP
SCHEMBL2697660 0.81 HPGD (0.39) S1PR1VCPNTSR1SPHK2SPHK1
SCHEMBL207006 0.80 ALOX5 (0.45) MEN1POLBKMT2AVCPSPHK2

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 10 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 claimed
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 PRMT5 1987/4885WDR77 2054/4885HDAC8 961/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 PRMT5 1987/4885WDR77 2054/4885HDAC8 961/4885

“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.