SCHEMBL205834

SCHEMBL205834

CCOC(=O)Cc1ccc(-c2csc(Nc3ccc(OCCCCc4cccs4)c(C(F)(F)F)c3)n2)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
POLB P06746 2/20 0.39
ESR2 Q92731 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 6/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 4/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 3/20 0.37
HPGD P15428 1/20 0.37
DHODH Q02127 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CFTR P13569 1/20 0.36
S1PR1 P21453 1/20 0.35
MAPK1 P28482 1/20 0.35
ALOX12 P18054 1/20 0.34
XBP1 P17861 1/20 0.34
CYP1A2 P05177 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
SCHEMBL207932 0.91 DHODH (0.40) MEN1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL208437 0.90 HDAC8 (0.38) MEN1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL207889 0.87 MAPT (0.37) MEN1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL207791 0.87 HDAC8 (0.44) MEN1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL207828 0.85 ALDH1A1 (0.45) MEN1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL2698469 0.85 MAPT (0.36) MEN1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL2705660 0.83 DHODH (0.39) MEN1KMT2APOLBMAPTSMN1; SMN2
SCHEMBL206856 0.82 S1PR1 (0.49) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL206271 0.81 HDAC8 (0.43) MEN1KMT2APOLBMAPTKDM4E
SCHEMBL208337 0.81 S1PR1 (0.51) MEN1KMT2AMAPTLMNAALDH1A1

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 MEN1 3862/4885KMT2A 3476/4885POLB 2513/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 MEN1 3862/4885KMT2A 3476/4885POLB 2513/4885

“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.