SCHEMBL3019869

SCHEMBL3019869

CCCC(=O)N(C)C(C)O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
HDAC3 O15379 4/20 0.36
HDAC1 Q13547 4/20 0.36
HDAC2 Q92769 4/20 0.36
HDAC8 Q9BY41 4/20 0.36
FFAR3 O14843 3/20 0.36
TSHR P16473 1/20 0.35
TP53 P04637 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA4 P43681 1/20 0.33
HDAC6 Q9UBN7 1/20 0.32
CNR1 P21554 1/20 0.31
CTSD P07339 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL4138857 0.83 ALDH1A1 (0.41) ALDH1A1CES2CES1HDAC3HDAC1
SCHEMBL6363285 0.83 FFAR4 (0.48) ALDH1A1CES2CES1LMNA
SCHEMBL11444526 0.83 FFAR4 (0.48) ALDH1A1CES2CES1LMNA
SCHEMBL5807529 0.83 FFAR4 (0.48) ALDH1A1CES2CES1LMNA
SCHEMBL5806908 0.83 FFAR4 (0.48) ALDH1A1CES2CES1LMNA
SCHEMBL5812121 0.83 FFAR4 (0.48) ALDH1A1CES2CES1LMNA
Hydrochloric Acid SCHEMBL27323795 0.81 ALDH1A1 (0.39) ALDH1A1CES2CES1HDAC3HDAC1
SCHEMBL18673576 0.79 ALDH1A1 (0.38) ALDH1A1CES2CES1HDAC3HDAC1
SCHEMBL28639265 0.78 CES2 (0.39) ALDH1A1CES2CES1HDAC3HDAC1
SCHEMBL25874859 0.77 ALDH1A1 (0.37) ALDH1A1CES2CES1HDAC3HDAC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216787-A1 THIAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2010-08-26 US disclosed
US-7678810-B2 Thiazole derivative TAISHO PHARMACEUTICAL CO., LTD (JP) 2010-03-16 US disclosed
US-20070154428-A1 Thiazole derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2007-07-05 US disclosed
EP-1721905-A1 THIAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD (JP) 2006-11-15 EP 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-20100216787-A1 THIAZOLE DERIVATIVE TGFBR1, TGFBR2, SMAD3 ALDH1A1 294/4885CES2 3558/4885CES1 3615/4885
US-20070154428-A1 Thiazole derivative TGFBR1, TGFBR2, SMAD3 ALDH1A1 294/4885CES2 3558/4885CES1 3615/4885

“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.