SCHEMBL208437

SCHEMBL208437

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.38
HDAC1 Q13547 1/20 0.38
MAPT P10636 6/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
LMNA P02545 3/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 3/20 0.37
S1PR1 P21453 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
CFTR P13569 2/20 0.36
VCP P55072 3/20 0.36
MAPK1 P28482 3/20 0.35
RAB9A P51151 1/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
NPC1 O15118 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
SCHEMBL206271 0.91 HDAC8 (0.43) HDAC8HDAC1MAPTMEN1KMT2A
SCHEMBL205834 0.90 MEN1 (0.39) HDAC8HDAC1MAPTMEN1KMT2A
SCHEMBL206856 0.88 S1PR1 (0.49) HDAC8HDAC1MAPTMEN1KMT2A
SCHEMBL208337 0.87 S1PR1 (0.51) HDAC8HDAC1MAPTMEN1KMT2A
SCHEMBL209137 0.87 S1PR1 (0.39) HDAC8HDAC1MAPTMEN1KMT2A
SCHEMBL206316 0.86 NTRK1 (0.39) HDAC8HDAC1MAPTMEN1KMT2A
SCHEMBL2698469 0.85 MAPT (0.36) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL207262 0.84 PRMT5 (0.38) HDAC8HDAC1MAPTMEN1KMT2A
SCHEMBL206298 0.82 XDH (0.41) HDAC8HDAC1MAPTALDH1A1KDM4E
SCHEMBL207932 0.82 DHODH (0.40) HDAC8HDAC1MAPTMEN1KMT2A

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 HDAC8 961/4885HDAC1 32/4885MAPT 2207/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 HDAC8 961/4885HDAC1 32/4885MAPT 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.