SCHEMBL206856

SCHEMBL206856

CCCCCOc1ccc(Nc2nc(-c3ccc(CC(=O)O)s3)cs2)cc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.49
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC1 Q13547 1/20 0.39
S1PR4 O95977 2/20 0.38
S1PR5 Q9H228 2/20 0.38
PPARG P37231 1/20 0.38
NR1H2 P55055 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
NR1H3 Q13133 1/20 0.38
PI4KB Q9UBF8 2/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL208337 0.99 S1PR1 (0.51) S1PR1PRMT5WDR77THRATHRB
SCHEMBL206271 0.90 HDAC8 (0.43) S1PR1PRMT5WDR77HDAC8HDAC1
SCHEMBL209137 0.89 S1PR1 (0.39) S1PR1PRMT5WDR77HDAC8HDAC1
SCHEMBL208437 0.88 HDAC8 (0.38) S1PR1PRMT5WDR77HDAC8HDAC1
SCHEMBL206298 0.87 XDH (0.41) PRMT5WDR77HDAC8HDAC1PI4KB
SCHEMBL207262 0.87 PRMT5 (0.38) S1PR1PRMT5WDR77HDAC8HDAC1
SCHEMBL206316 0.86 NTRK1 (0.39) S1PR1PRMT5WDR77HDAC8HDAC1
SCHEMBL205519 0.84 S1PR1 (0.44) S1PR1MEN1ALDH1A1MAPTKMT2A
SCHEMBL2696254 0.84 ALDH1A1 (0.43) S1PR1THRATHRBS1PR4S1PR5
SCHEMBL207932 0.84 DHODH (0.40) S1PR1HDAC8HDAC1S1PR4S1PR5

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 S1PR1 1259/4885PRMT5 1987/4885WDR77 2054/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 S1PR1 1259/4885PRMT5 1987/4885WDR77 2054/4885

“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.