SCHEMBL10179

SCHEMBL10179

CCCC(=O)NC(C)(CO)CO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC2 Q92769 3/20 0.46
HDAC8 Q9BY41 3/20 0.46
HDAC6 Q9UBN7 1/20 0.46
ALDH1A1 P00352 1/20 0.45
CTSD P07339 1/20 0.44
HRH3 Q9Y5N1 1/20 0.40
CASP2 P42575 1/20 0.38
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
TP53 P04637 1/20 0.35
FFAR3 O14843 2/20 0.35
KMT2A Q03164 2/20 0.34
PRSS1 P07477 1/20 0.34
CTSG P08311 1/20 0.34
CTRB1 P17538 1/20 0.34
CMA1 P23946 1/20 0.34
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL14845707 0.87 ALDH1A1 (0.52) ALDH1A1HRH3CES2CES1TP53
SCHEMBL15417860 0.85 HRH3 (0.56) ALDH1A1HRH3CES2CES1KMT2A
SCHEMBL15726601 0.84 HRH3 (0.58) ALDH1A1HRH3CES2CES1KMT2A
SCHEMBL8206737 0.84 HRH3 (0.58) ALDH1A1HRH3CES2CES1KMT2A
SCHEMBL619220 0.82 ALDH1A1 (0.55) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL7624172 0.81 KMT2A (0.37) ALDH1A1HRH3TP53FFAR3KMT2A
SCHEMBL1104286 0.80 PHF8 (0.45) HDAC3HDAC1HDAC2HDAC8ALDH1A1
SCHEMBL11522117 0.80 ALDH1A1 (0.44) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL12016626 0.79 HRH3 (0.58) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL10170 0.78 HDAC2 (0.52) HDAC3HDAC1HDAC2HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180126011-A1 DENDRI-TAC AND THEIR USE AS THERANOSTICS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-05-10 US disclosed
US-8637557-B2 Aminothiazole derivative TAISHO PHARMACEUTICAL CO., LTD (JP) 2014-01-28 US disclosed
US-20120220767-A1 AMINOTHIAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-08-30 US disclosed
WO-2011048936-A1 AMINOTHIAZOLE DERIVATIVE 大正製薬株式会社 (JP) 2011-04-28 WO disclosed
EP-0521997-A4 CROSSLINKABLE SURFACE COATINGS AND METHODS FOR PRODUCING SAME 1993-04-21 EP disclosed
EP-0521997-A1 CROSSLINKABLE SURFACE COATINGS AND METHODS FOR PRODUCING SAME. JOHNSON & SON INC S C (US) 1993-01-13 EP disclosed
WO-1991014715-A1 CROSSLINKABLE SURFACE COATINGS AND METHODS FOR PRODUCING SAME S.C. JOHNSON & SON, INC. (US) 1991-10-03 WO 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-20120220767-A1 AMINOTHIAZOLE DERIVATIVE AKT3, AKT2, JAK1 HDAC3 2032/4885HDAC1 2146/4885HDAC2 2157/4885
US-20180126011-A1 DENDRI-TAC AND THEIR USE AS THERANOSTICS DBI, CDIPT, DGKI HDAC3 2460/4885HDAC1 3687/4885HDAC2 4221/4885

“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.