SCHEMBL206695

SCHEMBL206695

CCCCCCCCOc1ccc(Nc2nc(-c3ccc4oc(CO)cc4c3)cs2)cc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.41
S1PR4 O95977 2/20 0.38
S1PR5 Q9H228 2/20 0.38
ALOX5 P09917 4/20 0.37
CYP1A1 P04798 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP1B1 Q16678 2/20 0.37
SPHK2 Q9NRA0 2/20 0.37
PTGES O14684 2/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
MAOA P21397 1/20 0.35
MCHR1 Q99705 1/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
NTSR1 P30989 1/20 0.35
VCP P55072 1/20 0.35

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
SCHEMBL207803 0.83 HSPD1 (0.50) S1PR1ALOX5PRMT5WDR77NTSR1
SCHEMBL205840 0.83 SPHK1 (0.37) ALOX5CYP1A1CYP1A2CYP1B1SPHK2
SCHEMBL250488 0.83 HSPD1 (0.51) S1PR1ALOX5PRMT5WDR77NTSR1
SCHEMBL206430 0.82 ALOX5 (0.47) S1PR1ALOX5CYP1A1CYP1A2CYP1B1
SCHEMBL205515 0.82 S1PR1 (0.45) S1PR1S1PR4S1PR5ALOX5CYP1A1
SCHEMBL207847 0.82 PTGS2 (0.47) S1PR1ALOX5CYP1A1CYP1A2CYP1B1
SCHEMBL205955 0.82 S1PR1 (0.48) S1PR1S1PR4S1PR5ALOX5SPHK2
SCHEMBL208515 0.82 ALOX5 (0.58) ALOX5SPHK2VCP
SCHEMBL206060 0.82 PTGES (0.46) S1PR1ALOX5CYP1A1CYP1A2CYP1B1
SCHEMBL206916 0.81 ALOX5 (0.48) S1PR1ALOX5CYP1A1CYP1A2CYP1B1

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 1259/4885S1PR4 2663/4885S1PR5 2976/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 S1PR1 1259/4885S1PR4 2663/4885S1PR5 2976/4885

“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.